N-butyl-N-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 854072
• Molecular Formular: C18H26N4O
• Molecular Mass: 314.42524
• Monoisotopic Mass: 314.21066147
• SMILES: c1(c(n2c(n1)cccc2)CN1CCCC1)C(=O)N(CCCC)C
• Canonical SMILES: CCCCN(C(=O)c1nc2n(c1CN1CCCC1)cccc2)C
• InChI: InChI=1S/C18H26N4O/c1-3-4-10-20(2)18(23)17-15(14-21-11-7-8-12-21)22-13-6-5-9-16(22)19-17/h5-6,9,13H,3-4,7-8,10-12,14H2,1-2H3
• InChIKey: KRMLFOVLXVESLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-butyl-N-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-butyl-N-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N-butyl-N-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.39477077
• LogD (pH = 7.4): 1.3647918
• Log P: 2.0344865
• Molar Refractivity: 94.271 cm^3
• Polarizability: 35.335823 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: 3
• H Donor: 0
• Log P: 1.55
• LOG S: -2.82
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 6