2-ethoxy-3-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}pyridine

• ChemBase ID: 566520
• Molecular Formular: C19H26N4O3
• Molecular Mass: 358.43474
• Monoisotopic Mass: 358.20049071
• SMILES: C(=O)(N1CC(c2n(ccn2)CCOC)CCC1)c1c(nccc1)OCC
• Canonical SMILES: COCCn1ccnc1C1CCCN(C1)C(=O)c1cccnc1OCC
• InChI: InChI=1S/C19H26N4O3/c1-3-26-18-16(7-4-8-21-18)19(24)23-10-5-6-15(14-23)17-20-9-11-22(17)12-13-25-2/h4,7-9,11,15H,3,5-6,10,12-14H2,1-2H3
• InChIKey: GAIMPIIQXBJSRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxy-3-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}pyridine
• IUPAC Traditional name: 2-ethoxy-3-{3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl}pyridine
• Synonyms: 2-ethoxy-3-({3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-piperidinyl}carbonyl)pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.7954033
• LogD (pH = 7.4): 1.4262434
• Log P: 1.454065
• Molar Refractivity: 99.2761 cm^3
• Polarizability: 37.675728 Å^3
• Polar Surface Area: 69.48 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.96
• LOG S: -2.63
• Polar Surface Area: 69.48 Å^2
• Rotatable Bonds: 7