N-butyl-3-[(cyclobutylamino)methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 492661
• Molecular Formular: C18H26N4O
• Molecular Mass: 314.42524
• Monoisotopic Mass: 314.21066147
• SMILES: c1(c(n2c(n1)cccc2)CNC1CCC1)C(=O)N(CCCC)C
• Canonical SMILES: CCCCN(C(=O)c1nc2n(c1CNC1CCC1)cccc2)C
• InChI: InChI=1S/C18H26N4O/c1-3-4-11-21(2)18(23)17-15(13-19-14-8-7-9-14)22-12-6-5-10-16(22)20-17/h5-6,10,12,14,19H,3-4,7-9,11,13H2,1-2H3
• InChIKey: PPAVDIXJQINVHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.74930316
• LogD (pH = 7.4): 0.86621416
• Log P: 2.1557744
• Molar Refractivity: 93.2475 cm^3
• Polarizability: 35.335846 Å^3
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.88
• LOG S: -3.01
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 5