2-{imidazo[1,2-a]pyridin-3-yl}-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

• ChemBase ID: 836789
• Molecular Formular: C20H21N3O
• Molecular Mass: 319.40024
• Monoisotopic Mass: 319.16846231
• SMILES: n12c(CC(=O)N(C3c4c(CCC3)cccc4)C)cnc1cccc2
• Canonical SMILES: O=C(N(C1CCCc2c1cccc2)C)Cc1cnc2n1cccc2
• InChI: InChI=1S/C20H21N3O/c1-22(18-10-6-8-15-7-2-3-9-17(15)18)20(24)13-16-14-21-19-11-4-5-12-23(16)19/h2-5,7,9,11-12,14,18H,6,8,10,13H2,1H3
• InChIKey: OQKJAWOHVSAVPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{imidazo[1,2-a]pyridin-3-yl}-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
• IUPAC Traditional name: 2-{imidazo[1,2-a]pyridin-3-yl}-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
• Synonyms: 2-imidazo[1,2-a]pyridin-3-yl-N-methyl-N-(1,2,3,4-tetrahydro-1-naphthalenyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9939095
• LogD (pH = 7.4): 2.6408834
• Log P: 2.6709745
• Molar Refractivity: 95.5315 cm^3
• Polarizability: 36.172955 Å^3
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.91
• LOG S: -4.01
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 3