N-benzyl-N-methyl-3-{[(3-phenylpropyl)amino]methyl}imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 837679
• Molecular Formular: C26H28N4O
• Molecular Mass: 412.52672
• Monoisotopic Mass: 412.22631154
• SMILES: c1(nc2n(c1CNCCCc1ccccc1)cccc2)C(=O)N(Cc1ccccc1)C
• Canonical SMILES: CN(C(=O)c1nc2n(c1CNCCCc1ccccc1)cccc2)Cc1ccccc1
• InChI: InChI=1S/C26H28N4O/c1-29(20-22-13-6-3-7-14-22)26(31)25-23(30-18-9-8-16-24(30)28-25)19-27-17-10-15-21-11-4-2-5-12-21/h2-9,11-14,16,18,27H,10,15,17,19-20H2,1H3
• InChIKey: FDDXUUUHIPMFKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-methyl-3-{[(3-phenylpropyl)amino]methyl}imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-benzyl-N-methyl-3-{[(3-phenylpropyl)amino]methyl}imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N-benzyl-N-methyl-3-{[(3-phenylpropyl)amino]methyl}imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.089931
• LogD (pH = 7.4): 2.5970378
• Log P: 4.103918
• Molar Refractivity: 126.1429 cm^3
• Polarizability: 47.83917 Å^3
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.05
• LOG S: -5.4
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 9