N-cyclopropyl-2-[(E)-2-phenylethenyl]pyridine-4-carboxamide

• ChemBase ID: 828188
• Molecular Formular: C17H16N2O
• Molecular Mass: 264.32174
• Monoisotopic Mass: 264.12626314
• SMILES: C(=O)(NC1CC1)c1cc(/C=C/c2ccccc2)ncc1
• Canonical SMILES: O=C(c1ccnc(c1)/C=C/c1ccccc1)NC1CC1
• InChI: InChI=1S/C17H16N2O/c20-17(19-15-8-9-15)14-10-11-18-16(12-14)7-6-13-4-2-1-3-5-13/h1-7,10-12,15H,8-9H2,(H,19,20)/b7-6+
• InChIKey: BNDZGKNIZCIWSV-VOTSOKGWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-2-[(E)-2-phenylethenyl]pyridine-4-carboxamide
• IUPAC Traditional name: N-cyclopropyl-2-[(E)-2-phenylethenyl]pyridine-4-carboxamide
• Synonyms: N-cyclopropyl-2-[(E)-2-phenylvinyl]isonicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.23474
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.8676093
• LogD (pH = 7.4): 2.8689394
• Log P: 2.8689563
• Molar Refractivity: 80.0951 cm^3
• Polarizability: 30.254875 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.75
• LOG S: -3.48
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 4