Cas no 80944-48-5 (4-Pyridinecarboxamide,2-propyl-)

4-Pyridinecarboxamide,2-propyl- is a pyridine derivative characterized by the presence of a propyl substituent at the 2-position and a carboxamide functional group at the 4-position of the pyridine ring. This compound is of interest in pharmaceutical and agrochemical research due to its potential as a versatile intermediate in organic synthesis. Its structural features allow for further functionalization, making it valuable in the development of bioactive molecules. The propyl group enhances lipophilicity, which can influence solubility and binding properties in target applications. The compound is typically handled under standard laboratory conditions, requiring appropriate safety measures due to its reactive nature.
4-Pyridinecarboxamide,2-propyl- structure
80944-48-5 structure
Product Name:4-Pyridinecarboxamide,2-propyl-
CAS No:80944-48-5
MF:C9H12N2O
MW:164.204381942749
CID:725613
PubChem ID:133572
Update Time:2025-05-30

4-Pyridinecarboxamide,2-propyl- Chemical and Physical Properties

Names and Identifiers

    • 4-Pyridinecarboxamide,2-propyl-
    • 2-propylisonicotinamide
    • 2-propylpyridine-4-carboxamide
    • DTXSID40230809
    • AKOS023553076
    • EINECS 279-634-7
    • 2-Propylpyridin-4-carboxamide
    • UNII-HE0P025KOZ
    • CHEMBL4528819
    • 4-Pyridinecarboxamide, 2-propyl-
    • 80944-48-5
    • SCHEMBL17873933
    • NS00038097
    • 2-Propylpyridin-4-carboxamide; 2-Propyl-4-pyridinecarboxamide; 2-Propylisonicotinamide
    • HE0P025KOZ
    • Inchi: 1S/C9H12N2O/c1-2-3-8-6-7(9(10)12)4-5-11-8/h4-6H,2-3H2,1H3,(H2,10,12)
    • InChI Key: OGXRHACCPMCVIC-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CN=C(C=1)CCC)N

Computed Properties

  • Exact Mass: 164.094963011g/mol
  • Monoisotopic Mass: 164.094963011g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 159
  • 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: 0.8
  • Topological Polar Surface Area: 56?2

4-Pyridinecarboxamide,2-propyl- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1644998-50mg
2-Propylisonicotinamide
80944-48-5 98%
50mg
¥19080.00 2024-07-28

Additional information on 4-Pyridinecarboxamide,2-propyl-

4-Pyridinecarboxamide, 2-propyl- (CAS No: 80944-48-5)

4-Pyridinecarboxamide, 2-propyl-, also known by its CAS number 80944-48-5, is a chemical compound that has garnered significant attention in the fields of organic chemistry and pharmacology. This compound belongs to the class of pyridine derivatives, which are widely studied for their diverse applications in drug discovery and materials science. The structure of 4-pyridinecarboxamide, 2-propyl- consists of a pyridine ring with a carboxamide group at the 4-position and a propyl substituent at the 2-position. This unique substitution pattern imparts distinctive chemical and physical properties to the molecule.

The synthesis of 4-pyridinecarboxamide, 2-propyl- involves a series of well-established organic reactions. Typically, the starting material is a substituted pyridine derivative, which undergoes nucleophilic substitution or coupling reactions to introduce the propyl group at the 2-position. Subsequent oxidation and amidation steps are employed to install the carboxamide group at the 4-position. These reactions are optimized to ensure high yields and purity, making 4-pyridinecarboxamide, 2-propyl- accessible for further studies.

Recent advancements in computational chemistry have enabled researchers to predict the electronic properties and reactivity of 4-pyridinecarboxamide, 2-propyl- with unprecedented accuracy. For instance, density functional theory (DFT) calculations have revealed that the compound exhibits significant electron-withdrawing effects due to the presence of the carboxamide group. This characteristic makes it a promising candidate for applications in electrochemical sensors and organic electronics.

In terms of biological activity, 4-pyridinecarboxamide, 2-propyl- has shown potential as a modulator of various enzyme activities. Preclinical studies have demonstrated its ability to inhibit key enzymes involved in inflammatory pathways, suggesting its potential as an anti-inflammatory agent. Furthermore, recent research has explored its role as a ligand in metalloenzyme catalysis, where it facilitates substrate binding and enhances catalytic efficiency.

The physical properties of 4-pyridinecarboxamide, 2-propyl- are also noteworthy. It has a melting point of approximately 150°C and is sparingly soluble in water but dissolves readily in organic solvents such as dichloromethane and acetonitrile. These properties make it suitable for use in various organic synthesis protocols and analytical techniques such as high-performance liquid chromatography (HPLC).

From an environmental perspective, studies on the biodegradation of 4-pyridinecarboxamide, 2-propyl- have shown that it undergoes rapid microbial degradation under aerobic conditions. This indicates that its environmental footprint is relatively low, making it an eco-friendly choice for industrial applications.

In conclusion, 4-pyridinecarboxamide, 2-propyl- (CAS No: 80944-48-5) is a versatile compound with a wide range of potential applications in chemistry and biology. Its unique structure, coupled with its favorable chemical and physical properties, positions it as a valuable tool for researchers across multiple disciplines. As ongoing studies continue to uncover new insights into its properties and functions, this compound is poised to play an increasingly important role in both academic research and industrial innovation.

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