N-[2-(diethylamino)ethyl]-2-ethyl-1-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-1,4-dihydropyridine-3-carboxamide

• ChemBase ID: 671392
• Molecular Formular: C23H33N3O3
• Molecular Mass: 399.52642
• Monoisotopic Mass: 399.25219193
• SMILES: c1(c(n(c(cc1=O)C)Cc1c(OC)cccc1)CC)C(=O)NCCN(CC)CC
• Canonical SMILES: CCN(CCNC(=O)c1c(=O)cc(n(c1CC)Cc1ccccc1OC)C)CC
• InChI: InChI=1S/C23H33N3O3/c1-6-19-22(23(28)24-13-14-25(7-2)8-3)20(27)15-17(4)26(19)16-18-11-9-10-12-21(18)29-5/h9-12,15H,6-8,13-14,16H2,1-5H3,(H,24,28)
• InChIKey: KPBXLSWXFGXKEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(diethylamino)ethyl]-2-ethyl-1-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-1,4-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-[2-(diethylamino)ethyl]-2-ethyl-1-[(2-methoxyphenyl)methyl]-6-methyl-4-oxopyridine-3-carboxamide
• Synonyms: N-[2-(diethylamino)ethyl]-2-ethyl-1-(2-methoxybenzyl)-6-methyl-4-oxo-1,4-dihydro-3-pyridinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.423158
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.12799422
• LogD (pH = 7.4): 1.8966049
• Log P: 2.8865063
• Molar Refractivity: 120.4586 cm^3
• Polarizability: 45.04011 Å^3
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.52
• LOG S: -2.94
• Polar Surface Area: 63.57 Å^2
• Rotatable Bonds: 5