2-{2-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-3-yl]-1H-imidazol-1-yl}acetamide

• ChemBase ID: 390016
• Molecular Formular: C18H23N5O4
• Molecular Mass: 373.40632
• Monoisotopic Mass: 373.17500424
• SMILES: c1(C(=O)N2CC(c3n(CC(=O)N)ccn3)CCC2)c(nc(cc1)OC)OC
• Canonical SMILES: COc1nc(OC)ccc1C(=O)N1CCCC(C1)c1nccn1CC(=O)N
• InChI: InChI=1S/C18H23N5O4/c1-26-15-6-5-13(17(21-15)27-2)18(25)23-8-3-4-12(10-23)16-20-7-9-22(16)11-14(19)24/h5-7,9,12H,3-4,8,10-11H2,1-2H3,(H2,19,24)
• InChIKey: WURPRYHKEYDDBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-3-yl]-1H-imidazol-1-yl}acetamide
• IUPAC Traditional name: 2-{2-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-3-yl]imidazol-1-yl}acetamide
• Synonyms: 2-(2-{1-[(2,6-dimethoxypyridin-3-yl)carbonyl]piperidin-3-yl}-1H-imidazol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.240815
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.37742424
• LogD (pH = 7.4): 0.22743298
• Log P: 0.25205946
• Molar Refractivity: 98.1675 cm^3
• Polarizability: 37.174473 Å^3
• Polar Surface Area: 112.57 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.19
• LOG S: -3.4
• Polar Surface Area: 112.57 Å^2
• Rotatable Bonds: 6