2,6-dimethoxy-3-[2-(pyridin-2-yl)piperidine-1-carbonyl]pyridine

• ChemBase ID: 708927
• Molecular Formular: C18H21N3O3
• Molecular Mass: 327.37764
• Monoisotopic Mass: 327.15829155
• SMILES: C(=O)(N1C(c2ncccc2)CCCC1)c1c(nc(cc1)OC)OC
• Canonical SMILES: COc1nc(OC)ccc1C(=O)N1CCCCC1c1ccccn1
• InChI: InChI=1S/C18H21N3O3/c1-23-16-10-9-13(17(20-16)24-2)18(22)21-12-6-4-8-15(21)14-7-3-5-11-19-14/h3,5,7,9-11,15H,4,6,8,12H2,1-2H3
• InChIKey: FJVBYSRVQAQPPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethoxy-3-[2-(pyridin-2-yl)piperidine-1-carbonyl]pyridine
• IUPAC Traditional name: 2,6-dimethoxy-3-[2-(pyridin-2-yl)piperidine-1-carbonyl]pyridine
• Synonyms: 2,6-dimethoxy-3-{[2-(2-pyridinyl)-1-piperidinyl]carbonyl}pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.563467
• LogD (pH = 7.4): 2.5775506
• Log P: 2.5777333
• Molar Refractivity: 90.1471 cm^3
• Polarizability: 34.494175 Å^3
• Polar Surface Area: 64.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.39
• LOG S: -2.33
• Polar Surface Area: 64.55 Å^2
• Rotatable Bonds: 4