5-Amino-6-cyano-7-phenyl-2-(phenylamino)thieno[3,2-b]pyridine-3-carboxamide , CAS No.836664-59-6

CAS: 836664-59-6 Cat. No.: A1252177 Peso molecular: 385.4

Storage

Room temperature

Shipped In

Normal

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)C2=C(C(=NC3=C2SC(=C3C(=O)N)NC4=CC=CC=C4)N)C#N
• IUPAC Name: 5-amino-2-anilino-6-cyano-7-phenylthieno[3,2-b]pyridine-3-carboxamide
• InChIKey: VJCANGHIFSKRFF-UHFFFAOYSA-N
• INCHI: 1S/C21H15N5OS/c22-11-14-15(12-7-3-1-4-8-12)18-17(26-19(14)23)16(20(24)27)21(28-18)25-13-9-5-2-6-10-13/h1-10,25H,(H2,23,26)(H2,24,27)
• Peso molecular: 385.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: 3,4,5-trisubstituted-2-aminothiophenes Thienopyridines Pyridinecarboxamides Thiophene carboxamides Aniline and substituted anilines Aminopyridines and derivatives N-arylated-2-aminothiophenes Imidolactams Vinylogous amides Heteroaromatic compounds Amino acids and derivatives Primary carboxylic acid amides Nitriles Azacyclic compounds Secondary amines Organopnictogen compounds Primary amines Hydrocarbon derivatives Organic oxides Organooxygen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-phenylpyridine - Pyridinecarboxamide - Thienopyridine - 3,4,5-trisubstituted-2-aminothiophene - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Aniline or substituted anilines - N-arylated-2-aminothiophene - Aminopyridine - 2-aminothiophene - Imidolactam - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Thiophene - Amino acid or derivatives - Carboxamide group - Primary carboxylic acid amide - Azacycle - Nitrile - Carbonitrile - Carboxylic acid derivative - Secondary amine - Organic oxygen compound - Primary amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
• 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

Propiedades químicas y físicas

• Peso molecular: 385.400 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 385.1 Da
• Monoisotopic Mass: 385.1 Da
• Topological Polar Surface Area: 146.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 609.000
• 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