N-[2-(2,3-dimethoxyphenyl)ethyl]-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 423062
• Molecular Formular: C18H22N2O4
• Molecular Mass: 330.37828
• Monoisotopic Mass: 330.15795719
• SMILES: c1(c(=O)[nH]c(cc1C)C)C(=O)NCCc1c(c(OC)ccc1)OC
• Canonical SMILES: COc1c(CCNC(=O)c2c(C)cc([nH]c2=O)C)cccc1OC
• InChI: InChI=1S/C18H22N2O4/c1-11-10-12(2)20-18(22)15(11)17(21)19-9-8-13-6-5-7-14(23-3)16(13)24-4/h5-7,10H,8-9H2,1-4H3,(H,19,21)(H,20,22)
• InChIKey: UNWCRLBXZPQKKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2,3-dimethoxyphenyl)ethyl]-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-[2-(2,3-dimethoxyphenyl)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
• Synonyms: N-[2-(2,3-dimethoxyphenyl)ethyl]-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.0349045
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.164063
• LogD (pH = 7.4): 1.163975
• Log P: 1.1640642
• Molar Refractivity: 93.2336 cm^3
• Polarizability: 34.996387 Å^3
• Polar Surface Area: 76.66 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: 1.14
• LOG S: -2.59
• Polar Surface Area: 80.42 Å^2
• Rotatable Bonds: 6