N-(2-methylpropyl)-2-(pyridin-2-yl)-N-(pyridin-2-ylmethyl)acetamide

• ChemBase ID: 553279
• Molecular Formular: C17H21N3O
• Molecular Mass: 283.36814
• Monoisotopic Mass: 283.16846231
• SMILES: C(=O)(N(Cc1ncccc1)CC(C)C)Cc1ncccc1
• Canonical SMILES: CC(CN(C(=O)Cc1ccccn1)Cc1ccccn1)C
• InChI: InChI=1S/C17H21N3O/c1-14(2)12-20(13-16-8-4-6-10-19-16)17(21)11-15-7-3-5-9-18-15/h3-10,14H,11-13H2,1-2H3
• InChIKey: KTGVNFGRHODRTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methylpropyl)-2-(pyridin-2-yl)-N-(pyridin-2-ylmethyl)acetamide
• IUPAC Traditional name: N-(2-methylpropyl)-2-(pyridin-2-yl)-N-(pyridin-2-ylmethyl)acetamide
• Synonyms: N-isobutyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.207236
• LogD (pH = 7.4): 2.2515752
• Log P: 2.2521572
• Molar Refractivity: 82.13 cm^3
• Polarizability: 32.223137 Å^3
• Polar Surface Area: 46.09 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.12
• LOG S: -0.92
• Polar Surface Area: 46.09 Å^2
• Rotatable Bonds: 6