5,6-dimethyl-2-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 495840
• Molecular Formular: C13H17N3O4
• Molecular Mass: 279.29178
• Monoisotopic Mass: 279.12190604
• SMILES: c1(c(=O)[nH]c(c(c1)C)C)C(=O)NCCN1C(=O)OCC1
• Canonical SMILES: Cc1cc(C(=O)NCCN2CCOC2=O)c(=O)[nH]c1C
• InChI: InChI=1S/C13H17N3O4/c1-8-7-10(12(18)15-9(8)2)11(17)14-3-4-16-5-6-20-13(16)19/h7H,3-6H2,1-2H3,(H,14,17)(H,15,18)
• InChIKey: IGDADBYFOSUAIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6-dimethyl-2-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: 5,6-dimethyl-2-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1H-pyridine-3-carboxamide
• Synonyms: 5,6-dimethyl-2-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1,2-dihydro-3-pyridinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.003555
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.8404239
• LogD (pH = 7.4): -0.84051836
• Log P: -0.8404225
• Molar Refractivity: 72.8845 cm^3
• Polarizability: 27.152336 Å^3
• Polar Surface Area: 87.74 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.88
• LOG S: -1.8
• Polar Surface Area: 91.5 Å^2
• Rotatable Bonds: 4