2-(4-acetylphenyl)-N-methylpyridine-4-carboxamide

• ChemBase ID: 360345
• Molecular Formular: C15H14N2O2
• Molecular Mass: 254.28386
• Monoisotopic Mass: 254.1055277
• SMILES: C(=O)(c1cc(ncc1)c1ccc(C(=O)C)cc1)NC
• Canonical SMILES: CNC(=O)c1ccnc(c1)c1ccc(cc1)C(=O)C
• InChI: InChI=1S/C15H14N2O2/c1-10(18)11-3-5-12(6-4-11)14-9-13(7-8-17-14)15(19)16-2/h3-9H,1-2H3,(H,16,19)
• InChIKey: NPABRAXZIVLBRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-acetylphenyl)-N-methylpyridine-4-carboxamide
• IUPAC Traditional name: 2-(4-acetylphenyl)-N-methylpyridine-4-carboxamide
• Synonyms: 2-(4-acetylphenyl)-N-methylisonicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.343041
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4199954
• LogD (pH = 7.4): 1.4206052
• Log P: 1.4206129
• Molar Refractivity: 73.0432 cm^3
• Polarizability: 28.796762 Å^3
• Polar Surface Area: 59.06 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.04
• LOG S: -1.94
• Polar Surface Area: 59.06 Å^2
• Rotatable Bonds: 3