N,7-dimethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 399497
• Molecular Formular: C24H30N4O
• Molecular Mass: 390.5212
• Monoisotopic Mass: 390.2419616
• SMILES: c1(nc2n(c1)ccc(c2)C)C(=O)N(C1CN(CCCc2ccccc2)CCC1)C
• Canonical SMILES: Cc1ccn2c(c1)nc(c2)C(=O)N(C1CCCN(C1)CCCc1ccccc1)C
• InChI: InChI=1S/C24H30N4O/c1-19-12-15-28-18-22(25-23(28)16-19)24(29)26(2)21-11-7-14-27(17-21)13-6-10-20-8-4-3-5-9-20/h3-5,8-9,12,15-16,18,21H,6-7,10-11,13-14,17H2,1-2H3
• InChIKey: OOXDOIBFNOUOMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,7-dimethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N,7-dimethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N,7-dimethyl-N-[1-(3-phenylpropyl)-3-piperidinyl]imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.9110807
• LogD (pH = 7.4): 2.634787
• Log P: 3.8987255
• Molar Refractivity: 118.6763 cm^3
• Polarizability: 44.79178 Å^3
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.07
• LOG S: -5.03
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 6