N-[(3S,4R)-3-benzyl-1-methylpiperidin-4-yl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 588509
• Molecular Formular: C22H26N4O
• Molecular Mass: 362.46804
• Monoisotopic Mass: 362.21066147
• SMILES: n12c(nc(c2)C)ccc(c1)C(=O)N[C@H]1[C@H](CN(CC1)C)Cc1ccccc1
• Canonical SMILES: CN1CC[C@H]([C@H](C1)Cc1ccccc1)NC(=O)c1ccc2n(c1)cc(n2)C
• InChI: InChI=1S/C22H26N4O/c1-16-13-26-15-18(8-9-21(26)23-16)22(27)24-20-10-11-25(2)14-19(20)12-17-6-4-3-5-7-17/h3-9,13,15,19-20H,10-12,14H2,1-2H3,(H,24,27)/t19-,20+/m0/s1
• InChIKey: FZOIPELOXHBPDT-VQTJNVASSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3S,4R)-3-benzyl-1-methylpiperidin-4-yl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-[(3S,4R)-3-benzyl-1-methylpiperidin-4-yl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-[(3S*,4R*)-3-benzyl-1-methylpiperidin-4-yl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.37352
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6525264
• LogD (pH = 7.4): 0.6394253
• Log P: 2.0497382
• Molar Refractivity: 109.0665 cm^3
• Polarizability: 41.174988 Å^3
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.69
• LOG S: -4.14
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 4