N-(4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

• ChemBase ID: 724691
• Molecular Formular: C19H20N4O3
• Molecular Mass: 352.3871
• Monoisotopic Mass: 352.15354052
• SMILES: n1(c(=O)cc(cc1C)C)NC(=O)CCc1nc(no1)c1cc(ccc1)C
• Canonical SMILES: Cc1cccc(c1)c1noc(n1)CCC(=O)Nn1c(C)cc(cc1=O)C
• InChI: InChI=1S/C19H20N4O3/c1-12-5-4-6-15(10-12)19-20-17(26-22-19)8-7-16(24)21-23-14(3)9-13(2)11-18(23)25/h4-6,9-11H,7-8H2,1-3H3,(H,21,24)
• InChIKey: VYIFJOCENNNCQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.670275
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.9892504
• LogD (pH = 7.4): 2.9871533
• Log P: 2.9892774
• Molar Refractivity: 110.829 cm^3
• Polarizability: 37.10938 Å^3
• Polar Surface Area: 88.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.92
• LOG S: -4.26
• Polar Surface Area: 90.02 Å^2
• Rotatable Bonds: 5