N-{1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl}-2,6-dimethyl-4-oxo-1,4-dihydropyridine-3-carboxamide

• ChemBase ID: 703150
• Molecular Formular: C21H25N3O4
• Molecular Mass: 383.4409
• Monoisotopic Mass: 383.1845063
• SMILES: c1(C(=O)NC2CC(=O)N(C2)CCc2ccc(cc2)OC)c([nH]c(cc1=O)C)C
• Canonical SMILES: COc1ccc(cc1)CCN1CC(CC1=O)NC(=O)c1c(C)[nH]c(cc1=O)C
• InChI: InChI=1S/C21H25N3O4/c1-13-10-18(25)20(14(2)22-13)21(27)23-16-11-19(26)24(12-16)9-8-15-4-6-17(28-3)7-5-15/h4-7,10,16H,8-9,11-12H2,1-3H3,(H,22,25)(H,23,27)
• InChIKey: QOMYGSQNNRGJGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl}-2,6-dimethyl-4-oxo-1,4-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-{1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl}-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
• Synonyms: N-{1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl}-2,6-dimethyl-4-oxo-1,4-dihydropyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.788681
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.7809839
• LogD (pH = 7.4): 0.7809675
• Log P: 0.78098434
• Molar Refractivity: 107.9794 cm^3
• Polarizability: 40.3313 Å^3
• Polar Surface Area: 87.74 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.34
• LOG S: -3.6
• Polar Surface Area: 91.5 Å^2
• Rotatable Bonds: 6