N-[(3S,4R)-4-ethoxyoxolan-3-yl]-6-ethyl-1,5-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 601674
• Molecular Formular: C16H24N2O4
• Molecular Mass: 308.37276
• Monoisotopic Mass: 308.17360726
• SMILES: c1(c(=O)n(c(c(c1)C)CC)C)C(=O)N[C@@H]1[C@H](COC1)OCC
• Canonical SMILES: CCO[C@H]1COC[C@@H]1NC(=O)c1cc(C)c(n(c1=O)C)CC
• InChI: InChI=1S/C16H24N2O4/c1-5-13-10(3)7-11(16(20)18(13)4)15(19)17-12-8-21-9-14(12)22-6-2/h7,12,14H,5-6,8-9H2,1-4H3,(H,17,19)/t12-,14-/m0/s1
• InChIKey: WGBCNBDXBKBCKO-JSGCOSHPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3S,4R)-4-ethoxyoxolan-3-yl]-6-ethyl-1,5-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-[(3S,4R)-4-ethoxyoxolan-3-yl]-6-ethyl-1,5-dimethyl-2-oxopyridine-3-carboxamide
• Synonyms: N-[(3S*,4R*)-4-ethoxytetrahydrofuran-3-yl]-6-ethyl-1,5-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.041522
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.42333665
• LogD (pH = 7.4): 0.42333615
• Log P: 0.423337
• Molar Refractivity: 84.5673 cm^3
• Polarizability: 32.095375 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.26
• LOG S: -2.98
• Polar Surface Area: 69.56 Å^2
• Rotatable Bonds: 5