N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)-N-(propan-2-yl)propanamide

• ChemBase ID: 343958
• Molecular Formular: C17H24N4O3
• Molecular Mass: 332.39746
• Monoisotopic Mass: 332.18484065
• SMILES: n1(c(=O)cccc1C)CCC(=O)N(Cc1nc(no1)CC)C(C)C
• Canonical SMILES: CCc1noc(n1)CN(C(=O)CCn1c(C)cccc1=O)C(C)C
• InChI: InChI=1S/C17H24N4O3/c1-5-14-18-15(24-19-14)11-21(12(2)3)17(23)9-10-20-13(4)7-6-8-16(20)22/h6-8,12H,5,9-11H2,1-4H3
• InChIKey: KBHQCQVSLJOPEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)-N-(propan-2-yl)propanamide
• IUPAC Traditional name: N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-isopropyl-3-(2-methyl-6-oxopyridin-1-yl)propanamide
• Synonyms: N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-isopropyl-3-(6-methyl-2-oxopyridin-1(2H)-yl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.6265154
• LogD (pH = 7.4): 1.6265155
• Log P: 1.6265155
• Molar Refractivity: 94.1351 cm^3
• Polarizability: 34.228504 Å^3
• Polar Surface Area: 79.54 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.85
• LOG S: -2.35
• Polar Surface Area: 81.23 Å^2
• Rotatable Bonds: 7