N-benzyl-2-(methylamino)-N-[(6-methylpyridin-2-yl)methyl]acetamide

• ChemBase ID: 585159
• Molecular Formular: C17H21N3O
• Molecular Mass: 283.36814
• Monoisotopic Mass: 283.16846231
• SMILES: N(C(=O)CNC)(Cc1nc(ccc1)C)Cc1ccccc1
• Canonical SMILES: CNCC(=O)N(Cc1cccc(n1)C)Cc1ccccc1
• InChI: InChI=1S/C17H21N3O/c1-14-7-6-10-16(19-14)13-20(17(21)11-18-2)12-15-8-4-3-5-9-15/h3-10,18H,11-13H2,1-2H3
• InChIKey: YXRYHSZVQFONAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-2-(methylamino)-N-[(6-methylpyridin-2-yl)methyl]acetamide
• IUPAC Traditional name: N-benzyl-2-(methylamino)-N-[(6-methylpyridin-2-yl)methyl]acetamide
• Synonyms: N~1~-benzyl-N~2~-methyl-N~1~-[(6-methylpyridin-2-yl)methyl]glycinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6908147
• LogD (pH = 7.4): -0.055022262
• Log P: 1.3696302
• Molar Refractivity: 83.5312 cm^3
• Polarizability: 32.73843 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.91
• LOG S: -0.74
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 6