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

• ChemBase ID: 704823
• Molecular Formular: C20H27N3O2
• Molecular Mass: 341.44728
• Monoisotopic Mass: 341.21032712
• SMILES: n1(c(=O)cccc1C)CCCNC(=O)C(c1cc(ccc1)C)N(C)C
• Canonical SMILES: CN(C(c1cccc(c1)C)C(=O)NCCCn1c(C)cccc1=O)C
• InChI: InChI=1S/C20H27N3O2/c1-15-8-5-10-17(14-15)19(22(3)4)20(25)21-12-7-13-23-16(2)9-6-11-18(23)24/h5-6,8-11,14,19H,7,12-13H2,1-4H3,(H,21,25)
• InChIKey: LQKPECPDDNFXFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.653868
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.009144193
• LogD (pH = 7.4): 1.5841745
• Log P: 1.8657825
• Molar Refractivity: 103.8482 cm^3
• Polarizability: 38.763035 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: 2.13
• LOG S: -3.51
• Polar Surface Area: 54.34 Å^2
• Rotatable Bonds: 7