N,N-dimethyl-2-[6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-1-yl]acetamide

• ChemBase ID: 494589
• Molecular Formular: C11H13F3N2O2
• Molecular Mass: 262.2283296
• Monoisotopic Mass: 262.09291233
• SMILES: n1(c(=O)cc(C(F)(F)F)cc1C)CC(=O)N(C)C
• Canonical SMILES: O=C(N(C)C)Cn1c(C)cc(cc1=O)C(F)(F)F
• InChI: InChI=1S/C11H13F3N2O2/c1-7-4-8(11(12,13)14)5-9(17)16(7)6-10(18)15(2)3/h4-5H,6H2,1-3H3
• InChIKey: AIEGSPLVOAABOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-2-[6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-1-yl]acetamide
• IUPAC Traditional name: N,N-dimethyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)pyridin-1-yl]acetamide
• Synonyms: N,N-dimethyl-2-[6-methyl-2-oxo-4-(trifluoromethyl)pyridin-1(2H)-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.352837
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.16879186
• LogD (pH = 7.4): 0.16879186
• Log P: 0.16879186
• Molar Refractivity: 61.6758 cm^3
• Polarizability: 21.670282 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 0.94
• LOG S: -1.92
• Polar Surface Area: 42.31 Å^2
• Rotatable Bonds: 3