N-cyclopentyl-5-methoxy-N-[(2-methoxyphenyl)methyl]-4-oxo-1,4-dihydropyridine-2-carboxamide

• ChemBase ID: 367301
• Molecular Formular: C20H24N2O4
• Molecular Mass: 356.41556
• Monoisotopic Mass: 356.17360726
• SMILES: c1(C(=O)N(Cc2c(OC)cccc2)C2CCCC2)cc(=O)c(c[nH]1)OC
• Canonical SMILES: COc1c[nH]c(cc1=O)C(=O)N(C1CCCC1)Cc1ccccc1OC
• InChI: InChI=1S/C20H24N2O4/c1-25-18-10-6-3-7-14(18)13-22(15-8-4-5-9-15)20(24)16-11-17(23)19(26-2)12-21-16/h3,6-7,10-12,15H,4-5,8-9,13H2,1-2H3,(H,21,23)
• InChIKey: JNYVEOMCXOWPRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-5-methoxy-N-[(2-methoxyphenyl)methyl]-4-oxo-1,4-dihydropyridine-2-carboxamide
• IUPAC Traditional name: N-cyclopentyl-5-methoxy-N-[(2-methoxyphenyl)methyl]-4-oxo-1H-pyridine-2-carboxamide
• Synonyms: N-cyclopentyl-5-methoxy-N-(2-methoxybenzyl)-4-oxo-1,4-dihydropyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.233815
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.3292172
• LogD (pH = 7.4): 2.3232768
• Log P: 2.3292944
• Molar Refractivity: 100.7449 cm^3
• Polarizability: 37.96195 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.16
• LOG S: -2.79
• Polar Surface Area: 71.63 Å^2
• Rotatable Bonds: 6