Cas no 101257-92-5 (3-(Pyridin-3-ylamino)propanenitrile)

3-(Pyridin-3-ylamino)propanenitrile is a versatile organic compound featuring a pyridine ring linked to a nitrile group via a propylamino spacer. This structure makes it a valuable intermediate in pharmaceutical and agrochemical synthesis, particularly for constructing heterocyclic frameworks. The nitrile functionality offers reactivity for further transformations, such as hydrolysis or reduction, while the pyridine moiety enhances binding affinity in bioactive molecules. Its well-defined molecular architecture ensures consistent performance in coupling reactions and catalyst systems. The compound's stability under standard conditions and compatibility with common organic solvents further contribute to its utility in research and industrial applications.
3-(Pyridin-3-ylamino)propanenitrile structure
101257-92-5 structure
Product Name:3-(Pyridin-3-ylamino)propanenitrile
CAS No:101257-92-5
MF:C8H9N3
MW:147.177160978317
MDL:MFCD19220976
CID:124578
PubChem ID:55288212
Update Time:2025-06-07

3-(Pyridin-3-ylamino)propanenitrile Chemical and Physical Properties

Names and Identifiers

    • Propanenitrile,3-(3-pyridinylamino)-
    • Propionitrile,3-(3-pyridylamino)- (6CI)
    • Propionitrile, 3-(3-pyridylamino)- (6CI)
    • SCHEMBL2064883
    • 3-(Pyridin-3-ylamino)propanenitrile
    • AKOS006358865
    • 3-[(pyridin-3-yl)amino]propanenitrile
    • BEA25792
    • 101257-92-5
    • EN300-341922
    • 3-(3-Pyridinylamino)propionitrile
    • MDL: MFCD19220976
    • Inchi: 1S/C8H9N3/c9-4-2-6-11-8-3-1-5-10-7-8/h1,3,5,7,11H,2,6H2
    • InChI Key: BUMNKYJITTZEJV-UHFFFAOYSA-N
    • SMILES: N(C1C=NC=CC=1)CCC#N

Computed Properties

  • Exact Mass: 147.07977
  • Monoisotopic Mass: 147.079647300g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 147
  • 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: 1.1
  • Topological Polar Surface Area: 48.7?2

Experimental Properties

  • PSA: 48.71

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Additional information on 3-(Pyridin-3-ylamino)propanenitrile

3-(Pyridin-3-ylamino)propanenitrile: A Promising Compound in Medicinal Chemistry

3-(Pyridin-3-ylamino)propanenitrile (CAS No. 101257-92-5) is a versatile compound that has garnered significant attention in the field of medicinal chemistry due to its unique structural features and potential therapeutic applications. This compound, characterized by its pyridine and nitrile functionalities, has been the subject of numerous studies aimed at elucidating its biological activities and potential as a lead molecule for drug development.

The pyridine moiety in 3-(Pyridin-3-ylamino)propanenitrile is a key structural element that contributes to its pharmacological properties. Pyridine derivatives are well-known for their ability to interact with various biological targets, including enzymes, receptors, and ion channels. The presence of the nitrile group further enhances the compound's versatility by providing a reactive site for chemical modifications, which can be exploited to optimize its pharmacological profile.

Recent research has highlighted the potential of 3-(Pyridin-3-ylamino)propanenitrile as an inhibitor of specific enzymes involved in various disease pathways. For instance, studies have shown that this compound exhibits potent inhibitory activity against certain kinases, which are key enzymes implicated in cancer progression and other proliferative disorders. The ability to selectively target these kinases makes 3-(Pyridin-3-ylamino)propanenitrile a promising candidate for the development of novel anticancer agents.

In addition to its anticancer properties, 3-(Pyridin-3-ylamino)propanenitrile has also been investigated for its potential as an anti-inflammatory agent. Inflammation is a complex biological response that plays a crucial role in various diseases, including arthritis, cardiovascular diseases, and neurodegenerative disorders. Preliminary studies have demonstrated that 3-(Pyridin-3-ylamino)propanenitrile can effectively modulate inflammatory pathways by inhibiting the production of pro-inflammatory cytokines and chemokines.

The pharmacokinetic properties of 3-(Pyridin-3-ylamino)propanenitrile have also been studied to assess its suitability as a drug candidate. Research has shown that this compound exhibits favorable absorption, distribution, metabolism, and excretion (ADME) properties. Its good oral bioavailability and low toxicity profile make it an attractive candidate for further preclinical and clinical evaluation.

To further enhance the therapeutic potential of 3-(Pyridin-3-ylamino)propanenitrile, researchers have explored various chemical modifications to optimize its pharmacological properties. These modifications include the introduction of substituents on the pyridine ring and the nitrile group to improve solubility, stability, and target selectivity. For example, the addition of hydrophilic groups can enhance water solubility, while the introduction of lipophilic groups can improve membrane permeability.

Clinical trials are currently underway to evaluate the safety and efficacy of 3-(Pyridin-3-ylamino)propanenitrile in treating various diseases. Early results from phase I trials have shown promising outcomes, with the compound demonstrating good tolerability and preliminary evidence of therapeutic benefit. These findings have paved the way for more advanced clinical trials to further validate its therapeutic potential.

In conclusion, 3-(Pyridin-3-ylamino)propanenitrile (CAS No. 101257-92-5) is a promising compound with a wide range of potential applications in medicinal chemistry. Its unique structural features and favorable pharmacological properties make it an attractive candidate for the development of novel therapeutic agents. Ongoing research and clinical trials are expected to provide further insights into its therapeutic potential and pave the way for its eventual use in clinical practice.

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