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

• ChemBase ID: 420448
• Molecular Formular: C24H31N5O
• Molecular Mass: 405.53584
• Monoisotopic Mass: 405.25286064
• SMILES: c1(nc2n(c1CNCCN1CCCCC1)cccc2)C(=O)N(Cc1ccccc1)C
• Canonical SMILES: CN(C(=O)c1nc2n(c1CNCCN1CCCCC1)cccc2)Cc1ccccc1
• InChI: InChI=1S/C24H31N5O/c1-27(19-20-10-4-2-5-11-20)24(30)23-21(29-16-9-6-12-22(29)26-23)18-25-13-17-28-14-7-3-8-15-28/h2,4-6,9-12,16,25H,3,7-8,13-15,17-19H2,1H3
• InChIKey: MISWEQSMSSCYJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.55716765
• LogD (pH = 7.4): 1.1601774
• Log P: 2.515226
• Molar Refractivity: 122.3354 cm^3
• Polarizability: 46.46606 Å^3
• Polar Surface Area: 52.88 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.15
• LOG S: -3.23
• Polar Surface Area: 52.88 Å^2
• Rotatable Bonds: 8