N-(3-ethoxy-2-hydroxypropyl)-1-ethyl-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 375875
• Molecular Formular: C15H24N2O4
• Molecular Mass: 296.36206
• Monoisotopic Mass: 296.17360726
• SMILES: c1(c(=O)n(c(cc1C)C)CC)C(=O)NCC(O)COCC
• Canonical SMILES: CCOCC(CNC(=O)c1c(C)cc(n(c1=O)CC)C)O
• InChI: InChI=1S/C15H24N2O4/c1-5-17-11(4)7-10(3)13(15(17)20)14(19)16-8-12(18)9-21-6-2/h7,12,18H,5-6,8-9H2,1-4H3,(H,16,19)
• InChIKey: LVWYLIHEVITBNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-ethoxy-2-hydroxypropyl)-1-ethyl-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-(3-ethoxy-2-hydroxypropyl)-1-ethyl-4,6-dimethyl-2-oxopyridine-3-carboxamide
• Synonyms: N-(3-ethoxy-2-hydroxypropyl)-1-ethyl-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.062116
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.2737463
• LogD (pH = 7.4): -0.27374616
• Log P: -0.27374604
• Molar Refractivity: 82.3395 cm^3
• Polarizability: 30.909157 Å^3
• Polar Surface Area: 78.87 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.47
• LOG S: -1.76
• Polar Surface Area: 80.56 Å^2
• Rotatable Bonds: 7