N-[(1-methanesulfonylpiperidin-3-yl)methyl]-2,6-dimethoxypyridine-3-carboxamide

• ChemBase ID: 839289
• Molecular Formular: C15H23N3O5S
• Molecular Mass: 357.42522
• Monoisotopic Mass: 357.13584185
• SMILES: S(=O)(=O)(N1CC(CNC(=O)c2c(nc(cc2)OC)OC)CCC1)C
• Canonical SMILES: COc1nc(OC)ccc1C(=O)NCC1CCCN(C1)S(=O)(=O)C
• InChI: InChI=1S/C15H23N3O5S/c1-22-13-7-6-12(15(17-13)23-2)14(19)16-9-11-5-4-8-18(10-11)24(3,20)21/h6-7,11H,4-5,8-10H2,1-3H3,(H,16,19)
• InChIKey: SGJOHDPNIREIJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-methanesulfonylpiperidin-3-yl)methyl]-2,6-dimethoxypyridine-3-carboxamide
• IUPAC Traditional name: N-[(1-methanesulfonylpiperidin-3-yl)methyl]-2,6-dimethoxypyridine-3-carboxamide
• Synonyms: 2,6-dimethoxy-N-{[1-(methylsulfonyl)piperidin-3-yl]methyl}nicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.329273
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.045644175
• LogD (pH = 7.4): -0.045641463
• Log P: -0.04564097
• Molar Refractivity: 89.4721 cm^3
• Polarizability: 34.906956 Å^3
• Polar Surface Area: 97.83 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.56
• LOG S: -3.14
• Polar Surface Area: 97.83 Å^2
• Rotatable Bonds: 5