N-(4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)-3-[(dimethylamino)methyl]benzamide

• ChemBase ID: 562831
• Molecular Formular: C17H21N3O2
• Molecular Mass: 299.36754
• Monoisotopic Mass: 299.16337693
• SMILES: n1(c(=O)cc(cc1C)C)NC(=O)c1cc(CN(C)C)ccc1
• Canonical SMILES: CN(Cc1cccc(c1)C(=O)Nn1c(C)cc(cc1=O)C)C
• InChI: InChI=1S/C17H21N3O2/c1-12-8-13(2)20(16(21)9-12)18-17(22)15-7-5-6-14(10-15)11-19(3)4/h5-10H,11H2,1-4H3,(H,18,22)
• InChIKey: PQOWDWCSQDOGCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)-3-[(dimethylamino)methyl]benzamide
• IUPAC Traditional name: N-(2,4-dimethyl-6-oxopyridin-1-yl)-3-[(dimethylamino)methyl]benzamide
• Synonyms: 3-[(dimethylamino)methyl]-N-(4,6-dimethyl-2-oxo-1(2H)-pyridinyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.581515
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.02134
• LogD (pH = 7.4): 0.751802
• Log P: 1.6684177
• Molar Refractivity: 90.2255 cm^3
• Polarizability: 33.09178 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.68
• LOG S: -2.71
• Polar Surface Area: 54.34 Å^2
• Rotatable Bonds: 3