N-[3-(2-methoxybenzamido)phenyl]-6-oxo-1,6-dihydropyridine-2-carboxamide

• ChemBase ID: 753807
• Molecular Formular: C20H17N3O4
• Molecular Mass: 363.36668
• Monoisotopic Mass: 363.12190604
• SMILES: C(=O)(c1c(OC)cccc1)Nc1cc(NC(=O)c2[nH]c(=O)ccc2)ccc1
• Canonical SMILES: COc1ccccc1C(=O)Nc1cccc(c1)NC(=O)c1cccc(=O)[nH]1
• InChI: InChI=1S/C20H17N3O4/c1-27-17-10-3-2-8-15(17)19(25)21-13-6-4-7-14(12-13)22-20(26)16-9-5-11-18(24)23-16/h2-12H,1H3,(H,21,25)(H,22,26)(H,23,24)
• InChIKey: XIUYRSWEDHBGMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2-methoxybenzamido)phenyl]-6-oxo-1,6-dihydropyridine-2-carboxamide
• IUPAC Traditional name: N-[3-(2-methoxybenzamido)phenyl]-6-oxo-1H-pyridine-2-carboxamide
• Synonyms: N-{3-[(2-methoxybenzoyl)amino]phenyl}-6-oxo-1,6-dihydropyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.020814
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 2.0129921
• LogD (pH = 7.4): 2.0120838
• Log P: 2.0130038
• Molar Refractivity: 105.6246 cm^3
• Polarizability: 37.71202 Å^3
• Polar Surface Area: 96.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 1.16
• LOG S: -2.84
• Polar Surface Area: 100.29 Å^2
• Rotatable Bonds: 5