N-{imidazo[1,2-a]pyridin-2-ylmethyl}-3-(piperidin-4-ylmethyl)benzamide

• ChemBase ID: 509927
• Molecular Formular: C21H24N4O
• Molecular Mass: 348.44146
• Monoisotopic Mass: 348.19501141
• SMILES: n1c2n(cc1CNC(=O)c1cc(CC3CCNCC3)ccc1)cccc2
• Canonical SMILES: O=C(c1cccc(c1)CC1CCNCC1)NCc1nc2n(c1)cccc2
• InChI: InChI=1S/C21H24N4O/c26-21(23-14-19-15-25-11-2-1-6-20(25)24-19)18-5-3-4-17(13-18)12-16-7-9-22-10-8-16/h1-6,11,13,15-16,22H,7-10,12,14H2,(H,23,26)
• InChIKey: MDOGIHTYQBMHEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{imidazo[1,2-a]pyridin-2-ylmethyl}-3-(piperidin-4-ylmethyl)benzamide
• IUPAC Traditional name: N-{imidazo[1,2-a]pyridin-2-ylmethyl}-3-(piperidin-4-ylmethyl)benzamide
• Synonyms: N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(4-piperidinylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.861773
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.5778451
• LogD (pH = 7.4): -0.5993067
• Log P: 2.1894443
• Molar Refractivity: 104.0239 cm^3
• Polarizability: 39.323303 Å^3
• Polar Surface Area: 58.43 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.78
• LOG S: -4.12
• Polar Surface Area: 58.43 Å^2
• Rotatable Bonds: 5