N-(4-chlorophenyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide , CAS No.477852-38-3

CAS: 477852-38-3 Cat. No.: N965600 Molecular Weight: 285.73 PubChem CID: 2766511

Storage

Room temperature

Specifications

Storage

Room temperature

Names and Identifiers

• Canonical Smiles: CC1=C(N2C=CC=CC2=N1)C(=O)NC3=CC=C(C=C3)Cl
• IUPAC Name: N-(4-chlorophenyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
• InChIKey: LNLJMJRUVVKNEU-UHFFFAOYSA-N
• INCHI: 1S/C15H12ClN3O/c1-10-14(19-9-3-2-4-13(19)17-10)15(20)18-12-7-5-11(16)6-8-12/h2-9H,1H3,(H,18,20)
• Isomeric SMILES: CC1=C(N2C=CC=CC2=N1)C(=O)NC3=CC=C(C=C3)Cl
• PubChem CID: 2766511
• Molecular Weight: 285.73

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic anilides
• Alternative Parents: Pyridinecarboxamides Imidazo[1,2-a]pyridines Imidazopyridines 2-heteroaryl carboxamides Carbonylimidazoles Chlorobenzenes N-substituted imidazoles Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organic oxides Organooxygen compounds Organopnictogen compounds Hydrocarbon derivatives Organochlorides Organonitrogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aromatic anilide - Imidazo[1,2-a]pyridine - Pyridinecarboxamide - Imidazopyridine - 2-heteroaryl carboxamide - Halobenzene - Imidazole-4-carbonyl group - Chlorobenzene - Aryl chloride - Aryl halide - N-substituted imidazole - Pyridine - Azole - Imidazole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 285.730 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 285.067 Da
• Monoisotopic Mass: 285.067 Da
• Topological Polar Surface Area: 46.400 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 357.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1