N-[(2-ethoxypyridin-3-yl)methyl]-5-methoxy-4-oxo-1,4-dihydropyridine-2-carboxamide

• ChemBase ID: 817854
• Molecular Formular: C15H17N3O4
• Molecular Mass: 303.31318
• Monoisotopic Mass: 303.12190604
• SMILES: c1(cc(=O)c(c[nH]1)OC)C(=O)NCc1c(nccc1)OCC
• Canonical SMILES: CCOc1ncccc1CNC(=O)c1[nH]cc(c(=O)c1)OC
• InChI: InChI=1S/C15H17N3O4/c1-3-22-15-10(5-4-6-16-15)8-18-14(20)11-7-12(19)13(21-2)9-17-11/h4-7,9H,3,8H2,1-2H3,(H,17,19)(H,18,20)
• InChIKey: USXIGEYPHVRXJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-ethoxypyridin-3-yl)methyl]-5-methoxy-4-oxo-1,4-dihydropyridine-2-carboxamide
• IUPAC Traditional name: N-[(2-ethoxypyridin-3-yl)methyl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
• Synonyms: N-[(2-ethoxypyridin-3-yl)methyl]-5-methoxy-4-oxo-1,4-dihydropyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.2825365
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 0.48383
• LogD (pH = 7.4): 0.47911838
• Log P: 0.48450956
• Molar Refractivity: 82.3402 cm^3
• Polarizability: 30.471134 Å^3
• Polar Surface Area: 89.55 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.58
• LOG S: -2.23
• Polar Surface Area: 93.31 Å^2
• Rotatable Bonds: 6