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

• ChemBase ID: 840771
• Molecular Formular: C19H20N4O3
• Molecular Mass: 352.3871
• Monoisotopic Mass: 352.15354052
• SMILES: c1(c(=O)[nH]c(cc1C)C)C(=O)NCCc1nc(no1)Cc1ccccc1
• Canonical SMILES: O=C(c1c(C)cc([nH]c1=O)C)NCCc1onc(n1)Cc1ccccc1
• InChI: InChI=1S/C19H20N4O3/c1-12-10-13(2)21-19(25)17(12)18(24)20-9-8-16-22-15(23-26-16)11-14-6-4-3-5-7-14/h3-7,10H,8-9,11H2,1-2H3,(H,20,24)(H,21,25)
• InChIKey: YERZFMRPMOXUOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.034848
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.7948947
• LogD (pH = 7.4): 1.7948041
• Log P: 1.794896
• Molar Refractivity: 99.541 cm^3
• Polarizability: 36.43543 Å^3
• Polar Surface Area: 97.12 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.06
• LOG S: -2.67
• Polar Surface Area: 100.88 Å^2
• Rotatable Bonds: 6