N-(4-methoxy-3-pentanamidophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 840531
• Molecular Formular: C19H23N3O4
• Molecular Mass: 357.40362
• Monoisotopic Mass: 357.16885623
• SMILES: c1(c(=O)[nH]c(cc1)C)C(=O)Nc1cc(NC(=O)CCCC)c(cc1)OC
• Canonical SMILES: CCCCC(=O)Nc1cc(ccc1OC)NC(=O)c1ccc([nH]c1=O)C
• InChI: InChI=1S/C19H23N3O4/c1-4-5-6-17(23)22-15-11-13(8-10-16(15)26-3)21-19(25)14-9-7-12(2)20-18(14)24/h7-11H,4-6H2,1-3H3,(H,20,24)(H,21,25)(H,22,23)
• InChIKey: NXKFJMKNMZAMGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-methoxy-3-pentanamidophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-(4-methoxy-3-pentanamidophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
• Synonyms: N-[4-methoxy-3-(pentanoylamino)phenyl]-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.211943
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.9101912
• LogD (pH = 7.4): 1.9101322
• Log P: 1.9101919
• Molar Refractivity: 103.3711 cm^3
• Polarizability: 37.35686 Å^3
• Polar Surface Area: 96.53 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 1.06
• LOG S: -2.71
• Polar Surface Area: 100.29 Å^2
• Rotatable Bonds: 7