2-(dimethylamino)-2-(3-fluorophenyl)-N-[3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)propyl]acetamide

• ChemBase ID: 536524
• Molecular Formular: C19H24FN3O2
• Molecular Mass: 345.4111632
• Monoisotopic Mass: 345.18525524
• SMILES: n1(c(=O)cccc1C)CCCNC(=O)C(c1cc(F)ccc1)N(C)C
• Canonical SMILES: CN(C(c1cccc(c1)F)C(=O)NCCCn1c(C)cccc1=O)C
• InChI: InChI=1S/C19H24FN3O2/c1-14-7-4-10-17(24)23(14)12-6-11-21-19(25)18(22(2)3)15-8-5-9-16(20)13-15/h4-5,7-10,13,18H,6,11-12H2,1-3H3,(H,21,25)
• InChIKey: PLVQWQIJWCPDAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-2-(3-fluorophenyl)-N-[3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)propyl]acetamide
• IUPAC Traditional name: 2-(dimethylamino)-2-(3-fluorophenyl)-N-[3-(2-methyl-6-oxopyridin-1-yl)propyl]acetamide
• Synonyms: 2-(dimethylamino)-2-(3-fluorophenyl)-N-[3-(6-methyl-2-oxo-1(2H)-pyridinyl)propyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.828369
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.0763853
• LogD (pH = 7.4): 1.374473
• Log P: 1.4950631
• Molar Refractivity: 99.0234 cm^3
• Polarizability: 36.65675 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.72
• LOG S: -3.19
• Polar Surface Area: 54.34 Å^2
• Rotatable Bonds: 7