6-ethyl-N-(2-methoxyethyl)-2-oxo-N-propyl-1,2-dihydropyridine-4-carboxamide

• ChemBase ID: 743736
• Molecular Formular: C14H22N2O3
• Molecular Mass: 266.33608
• Monoisotopic Mass: 266.16304257
• SMILES: c1(C(=O)N(CCOC)CCC)cc(=O)[nH]c(c1)CC
• Canonical SMILES: COCCN(C(=O)c1cc(CC)[nH]c(=O)c1)CCC
• InChI: InChI=1S/C14H22N2O3/c1-4-6-16(7-8-19-3)14(18)11-9-12(5-2)15-13(17)10-11/h9-10H,4-8H2,1-3H3,(H,15,17)
• InChIKey: DPGBZROVJPDTFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethyl-N-(2-methoxyethyl)-2-oxo-N-propyl-1,2-dihydropyridine-4-carboxamide
• IUPAC Traditional name: 2-ethyl-N-(2-methoxyethyl)-6-oxo-N-propyl-1H-pyridine-4-carboxamide
• Synonyms: 6-ethyl-N-(2-methoxyethyl)-2-oxo-N-propyl-1,2-dihydropyridine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.93792
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.64927244
• LogD (pH = 7.4): 0.6491637
• Log P: 0.64927524
• Molar Refractivity: 76.3193 cm^3
• Polarizability: 28.42667 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.52
• LOG S: -1.59
• Polar Surface Area: 62.4 Å^2
• Rotatable Bonds: 7