N-cyclopropyl-N-[(2-ethoxyphenyl)methyl]-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 421205
• Molecular Formular: C19H22N2O3
• Molecular Mass: 326.38958
• Monoisotopic Mass: 326.16304257
• SMILES: c1(C(=O)N(Cc2c(OCC)cccc2)C2CC2)c(=O)[nH]c(cc1)C
• Canonical SMILES: CCOc1ccccc1CN(C(=O)c1ccc([nH]c1=O)C)C1CC1
• InChI: InChI=1S/C19H22N2O3/c1-3-24-17-7-5-4-6-14(17)12-21(15-9-10-15)19(23)16-11-8-13(2)20-18(16)22/h4-8,11,15H,3,9-10,12H2,1-2H3,(H,20,22)
• InChIKey: IRAXYRCIVANHAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-N-[(2-ethoxyphenyl)methyl]-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-cyclopropyl-N-[(2-ethoxyphenyl)methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
• Synonyms: N-cyclopropyl-N-(2-ethoxybenzyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.751259
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8357592
• LogD (pH = 7.4): 1.8355902
• Log P: 1.8357615
• Molar Refractivity: 94.5899 cm^3
• Polarizability: 35.41871 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.87
• LOG S: -3.18
• Polar Surface Area: 62.4 Å^2
• Rotatable Bonds: 6