N-[(2-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxamide

• ChemBase ID: 502656
• Molecular Formular: C19H24N2O4
• Molecular Mass: 344.40486
• Monoisotopic Mass: 344.17360726
• SMILES: c1(C(=O)N(Cc2c(OC)cccc2)C(COC)C)cc(=O)[nH]c(c1)C
• Canonical SMILES: COCC(N(C(=O)c1cc(C)[nH]c(=O)c1)Cc1ccccc1OC)C
• InChI: InChI=1S/C19H24N2O4/c1-13-9-16(10-18(22)20-13)19(23)21(14(2)12-24-3)11-15-7-5-6-8-17(15)25-4/h5-10,14H,11-12H2,1-4H3,(H,20,22)
• InChIKey: IJDACSJFNZINSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxamide
• IUPAC Traditional name: N-[(2-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)-2-methyl-6-oxo-1H-pyridine-4-carboxamide
• Synonyms: N-(2-methoxybenzyl)-N-(2-methoxy-1-methylethyl)-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.966873
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2307969
• LogD (pH = 7.4): 1.230695
• Log P: 1.2307993
• Molar Refractivity: 98.0173 cm^3
• Polarizability: 36.847176 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.46
• LOG S: -2.96
• Polar Surface Area: 71.63 Å^2
• Rotatable Bonds: 7