N-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-4,5,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 375373
• Molecular Formular: C20H26N2O4
• Molecular Mass: 358.43144
• Monoisotopic Mass: 358.18925732
• SMILES: c1(c(c(c([nH]c1=O)C)C)C)C(=O)N(Cc1cc(OC)ccc1)CCOC
• Canonical SMILES: COCCN(C(=O)c1c(=O)[nH]c(c(c1C)C)C)Cc1cccc(c1)OC
• InChI: InChI=1S/C20H26N2O4/c1-13-14(2)18(19(23)21-15(13)3)20(24)22(9-10-25-4)12-16-7-6-8-17(11-16)26-5/h6-8,11H,9-10,12H2,1-5H3,(H,21,23)
• InChIKey: QXERHSTYNRIPJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-4,5,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-4,5,6-trimethyl-2-oxo-1H-pyridine-3-carboxamide
• Synonyms: N-(3-methoxybenzyl)-N-(2-methoxyethyl)-4,5,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.284996
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4531351
• LogD (pH = 7.4): 1.453086
• Log P: 1.4531361
• Molar Refractivity: 102.2376 cm^3
• Polarizability: 38.68566 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: 1.81
• LOG S: -3.36
• Polar Surface Area: 71.63 Å^2
• Rotatable Bonds: 7