2-(2-phenylphenyl)pyridine-4-carboxamide

• ChemBase ID: 565204
• Molecular Formular: C18H14N2O
• Molecular Mass: 274.31656
• Monoisotopic Mass: 274.11061308
• SMILES: c1(c2c(c3ccccc3)cccc2)cc(C(=O)N)ccn1
• Canonical SMILES: NC(=O)c1ccnc(c1)c1ccccc1c1ccccc1
• InChI: InChI=1S/C18H14N2O/c19-18(21)14-10-11-20-17(12-14)16-9-5-4-8-15(16)13-6-2-1-3-7-13/h1-12H,(H2,19,21)
• InChIKey: FABFPMNZJXRXLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-phenylphenyl)pyridine-4-carboxamide
• IUPAC Traditional name: 2-(2-phenylphenyl)pyridine-4-carboxamide
• Synonyms: 2-biphenyl-2-ylisonicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.981412
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.2859104
• LogD (pH = 7.4): 3.2865071
• Log P: 3.2865148
• Molar Refractivity: 82.8799 cm^3
• Polarizability: 34.315323 Å^3
• Polar Surface Area: 55.98 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.92
• LOG S: -3.69
• Polar Surface Area: 55.98 Å^2
• Rotatable Bonds: 3