N-(4-carbamoylphenyl)-5-methoxy-4-oxo-1,4-dihydropyridine-2-carboxamide

• ChemBase ID: 225088
• Molecular Formular: C14H13N3O4
• Molecular Mass: 287.27072
• Monoisotopic Mass: 287.09060591
• SMILES: c1(cc(=O)c(c[nH]1)OC)C(=O)Nc1ccc(C(=O)N)cc1
• Canonical SMILES: COc1c[nH]c(cc1=O)C(=O)Nc1ccc(cc1)C(=O)N
• InChI: InChI=1S/C14H13N3O4/c1-21-12-7-16-10(6-11(12)18)14(20)17-9-4-2-8(3-5-9)13(15)19/h2-7H,1H3,(H2,15,19)(H,16,18)(H,17,20)
• InChIKey: NMUMABHNACIWNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-carbamoylphenyl)-5-methoxy-4-oxo-1,4-dihydropyridine-2-carboxamide
• IUPAC Traditional name: N-(4-carbamoylphenyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide

Database IDs

• PubChem SID: 164280998
• PubChem CID: 27448538

CALCULATED PROPERTIES

• Acid pKa: 6.6637154
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 0.024928333
• LogD (pH = 7.4): -0.65683323
• Log P: 0.052323382
• Molar Refractivity: 78.996 cm^3
• Polarizability: 28.009558 Å^3
• Polar Surface Area: 110.52 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds