N-benzyl-N-methyl-3-(1,2,3,6-tetrahydropyridin-1-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 767116
• Molecular Formular: C22H24N4O
• Molecular Mass: 360.45216
• Monoisotopic Mass: 360.19501141
• SMILES: c1(c(n2c(n1)cccc2)CN1CC=CCC1)C(=O)N(Cc1ccccc1)C
• Canonical SMILES: CN(C(=O)c1nc2n(c1CN1CCC=CC1)cccc2)Cc1ccccc1
• InChI: InChI=1S/C22H24N4O/c1-24(16-18-10-4-2-5-11-18)22(27)21-19(17-25-13-7-3-8-14-25)26-15-9-6-12-20(26)23-21/h2-7,9-12,15H,8,13-14,16-17H2,1H3
• InChIKey: INDVLMGCWIQCQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-methyl-3-(1,2,3,6-tetrahydropyridin-1-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-benzyl-3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-N-methylimidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N-benzyl-3-(3,6-dihydropyridin-1(2H)-ylmethyl)-N-methylimidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.91445565
• LogD (pH = 7.4): 2.4373991
• Log P: 2.6736152
• Molar Refractivity: 110.5736 cm^3
• Polarizability: 41.01442 Å^3
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.1
• LOG S: -3.62
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 5