4,6-dimethyl-N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 707374
• Molecular Formular: C13H16N4O4
• Molecular Mass: 292.29054
• Monoisotopic Mass: 292.11715501
• SMILES: c1(c(=O)[nH]c(cc1C)C)C(=O)NCCOc1nonc1C
• Canonical SMILES: Cc1cc(C)c(c(=O)[nH]1)C(=O)NCCOc1nonc1C
• InChI: InChI=1S/C13H16N4O4/c1-7-6-8(2)15-12(19)10(7)11(18)14-4-5-20-13-9(3)16-21-17-13/h6H,4-5H2,1-3H3,(H,14,18)(H,15,19)
• InChIKey: FGLODVMAFYPPLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dimethyl-N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: 4,6-dimethyl-N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-2-oxo-1H-pyridine-3-carboxamide
• Synonyms: 4,6-dimethyl-N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-2-oxo-1,2-dihydropyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.0346985
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.57500625
• LogD (pH = 7.4): -0.5750942
• Log P: -0.575005
• Molar Refractivity: 76.7674 cm^3
• Polarizability: 27.648455 Å^3
• Polar Surface Area: 106.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: -0.2
• LOG S: -2.47
• Polar Surface Area: 110.11 Å^2
• Rotatable Bonds: 5