Cas no 1346691-76-6 (5-(3,5-Difluorophenyl)nicotinamide)

5-(3,5-Difluorophenyl)nicotinamide is a fluorinated nicotinamide derivative with potential applications in medicinal chemistry and pharmaceutical research. Its structure, featuring a difluorophenyl moiety linked to a nicotinamide core, offers unique electronic and steric properties, making it a valuable intermediate for drug discovery. The presence of fluorine atoms enhances metabolic stability and binding affinity in target interactions, which is advantageous for developing bioactive compounds. This compound is particularly useful in the synthesis of kinase inhibitors and other small-molecule therapeutics. High purity and well-defined chemical properties ensure reproducibility in research applications. Its versatility and structural features make it a promising candidate for further exploration in therapeutic development.
5-(3,5-Difluorophenyl)nicotinamide structure
1346691-76-6 structure
Product Name:5-(3,5-Difluorophenyl)nicotinamide
CAS No:1346691-76-6
MF:C12H8F2N2O
MW:234.201529502869
CID:1030072
PubChem ID:71303492
Update Time:2025-06-12

5-(3,5-Difluorophenyl)nicotinamide Chemical and Physical Properties

Names and Identifiers

    • 5-(3,5-Difluorophenyl)nicotinamide
    • 5-(3,5-Difluorophenyl)nicotimide
    • 5-(3,5-difluorophenyl)pyridine-3-carboxamide
    • DTXSID30744965
    • 1346691-76-6
    • Inchi: 1S/C12H8F2N2O/c13-10-2-7(3-11(14)4-10)8-1-9(12(15)17)6-16-5-8/h1-6H,(H2,15,17)
    • InChI Key: DCPHNITUEKNYRA-UHFFFAOYSA-N
    • SMILES: FC1C=C(C=C(C=1)C1C=NC=C(C(N)=O)C=1)F

Computed Properties

  • Exact Mass: 234.06046921g/mol
  • Monoisotopic Mass: 234.06046921g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 278
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 56?2

5-(3,5-Difluorophenyl)nicotinamide Pricemore >>

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5-(3,5-Difluorophenyl)nicotinamide Related Literature

Additional information on 5-(3,5-Difluorophenyl)nicotinamide

5-(3,5-Difluorophenyl)nicotinamide: A Comprehensive Overview

5-(3,5-Difluorophenyl)nicotinamide (CAS No. 1346691-76-6) is a synthetic compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound, characterized by its unique chemical structure and potential biological activities, has been the subject of numerous studies aimed at elucidating its properties and applications.

The chemical structure of 5-(3,5-Difluorophenyl)nicotinamide consists of a nicotinamide moiety attached to a 3,5-difluorophenyl group. This combination imparts specific physicochemical properties that make it an interesting candidate for various biological investigations. The presence of the fluorine atoms in the phenyl ring enhances the compound's lipophilicity and metabolic stability, which are crucial factors in drug design and development.

Recent research has focused on the potential therapeutic applications of 5-(3,5-Difluorophenyl)nicotinamide. One notable area of interest is its activity as a modulator of nicotinic acetylcholine receptors (nAChRs). These receptors play a pivotal role in various physiological processes, including neurotransmission, cognition, and pain modulation. Studies have shown that 5-(3,5-Difluorophenyl)nicotinamide exhibits selective binding to specific subtypes of nAChRs, which could make it a valuable tool in the development of novel treatments for neurological disorders such as Alzheimer's disease and Parkinson's disease.

In addition to its potential as a receptor modulator, 5-(3,5-Difluorophenyl)nicotinamide has also been investigated for its anti-inflammatory properties. Inflammatory diseases, such as rheumatoid arthritis and inflammatory bowel disease, are characterized by chronic inflammation that can lead to tissue damage and functional impairment. Preclinical studies have demonstrated that 5-(3,5-Difluorophenyl)nicotinamide can reduce inflammatory markers and alleviate symptoms in animal models of these diseases. This suggests that it may have therapeutic potential in managing inflammatory conditions.

The pharmacokinetic profile of 5-(3,5-Difluorophenyl)nicotinamide has also been studied extensively. Research indicates that it exhibits favorable absorption, distribution, metabolism, and excretion (ADME) properties. Its high oral bioavailability and low toxicity profile make it an attractive candidate for further clinical development. Additionally, the compound's ability to cross the blood-brain barrier (BBB) is a significant advantage for targeting central nervous system (CNS) disorders.

Clinical trials are currently underway to evaluate the safety and efficacy of 5-(3,5-Difluorophenyl)nicotinamide in human subjects. Early-phase trials have shown promising results, with the compound demonstrating good tolerability and preliminary evidence of therapeutic benefit. However, more extensive studies are needed to fully understand its potential and to optimize dosing regimens for different indications.

Beyond its therapeutic applications, 5-(3,5-Difluorophenyl)nicotinamide has also found use as a research tool in academic and industrial laboratories. Its unique chemical structure makes it an ideal probe for studying the structure-activity relationships (SARs) of nicotinic receptor ligands. By modifying the core structure or substituents of the compound, researchers can gain insights into the molecular mechanisms underlying receptor activation and modulation.

In conclusion, 5-(3,5-Difluorophenyl)nicotinamide (CAS No. 1346691-76-6) is a multifaceted compound with promising applications in both therapeutic and research settings. Its unique chemical properties and biological activities make it a valuable asset in the ongoing efforts to develop new treatments for neurological disorders and inflammatory diseases. As research continues to advance our understanding of this compound, it is likely to play an increasingly important role in the fields of medicinal chemistry and pharmaceutical science.

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