N,N-dimethyl-6-{3-[1-(pyridin-3-ylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}pyridine-3-carboxamide

• ChemBase ID: 862540
• Molecular Formular: C22H26N6O
• Molecular Mass: 390.48144
• Monoisotopic Mass: 390.21680948
• SMILES: c1(n(Cc2cnccc2)ccn1)C1CN(c2ncc(C(=O)N(C)C)cc2)CCC1
• Canonical SMILES: O=C(c1ccc(nc1)N1CCCC(C1)c1nccn1Cc1cccnc1)N(C)C
• InChI: InChI=1S/C22H26N6O/c1-26(2)22(29)18-7-8-20(25-14-18)27-11-4-6-19(16-27)21-24-10-12-28(21)15-17-5-3-9-23-13-17/h3,5,7-10,12-14,19H,4,6,11,15-16H2,1-2H3
• InChIKey: RQVKDGDOBIBFEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-6-{3-[1-(pyridin-3-ylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}pyridine-3-carboxamide
• IUPAC Traditional name: N,N-dimethyl-6-{3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl}pyridine-3-carboxamide
• Synonyms: N,N-dimethyl-6-{3-[1-(pyridin-3-ylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}nicotinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.7445987
• LogD (pH = 7.4): 1.8087437
• Log P: 1.9167483
• Molar Refractivity: 113.9051 cm^3
• Polarizability: 42.35154 Å^3
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.15
• LOG S: -2.19
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 5