N-[2-(benzyloxy)ethyl]-6-ethyl-2-oxo-1,2-dihydropyridine-4-carboxamide

• ChemBase ID: 702358
• Molecular Formular: C17H20N2O3
• Molecular Mass: 300.3523
• Monoisotopic Mass: 300.14739251
• SMILES: c1(cc(=O)[nH]c(c1)CC)C(=O)NCCOCc1ccccc1
• Canonical SMILES: CCc1cc(cc(=O)[nH]1)C(=O)NCCOCc1ccccc1
• InChI: InChI=1S/C17H20N2O3/c1-2-15-10-14(11-16(20)19-15)17(21)18-8-9-22-12-13-6-4-3-5-7-13/h3-7,10-11H,2,8-9,12H2,1H3,(H,18,21)(H,19,20)
• InChIKey: LTGUKRAMDSCWKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.9380455
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.27074
• LogD (pH = 7.4): 1.2706305
• Log P: 1.2707419
• Molar Refractivity: 86.7626 cm^3
• Polarizability: 32.479816 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.5
• LOG S: -2.67
• Polar Surface Area: 71.19 Å^2
• Rotatable Bonds: 7