N-[4-[1-[2-(6-Methylpyridin-2-Yl)Ethyl]Piperidine-4-Carbonyl]Phenyl]Methanesulfonamide
[CAS 113558-89-7]

Identification

• Name: N-[4-[1-[2-(6-Methylpyridin-2-Yl)Ethyl]Piperidine-4-Carbonyl]Phenyl]Methanesulfonamide
• Synonyms: N-[4-[1-[2-(6-Methyl-2-Pyridyl)Ethyl]Piperidine-4-Carbonyl]Phenyl]Methanesulfonamide; N-[4-[[1-[2-(6-Methyl-2-Pyridyl)Ethyl]-4-Piperidinyl]-Oxomethyl]Phenyl]Methanesulfonamide; N-[4-[1-[2-(6-Methylpyridin-2-Yl)Ethyl]Piperidin-4-Yl]Carbonylphenyl]Methanesulfonamide
• Molecular Formula: C₂₁H₂₇N₃O₃S
• Molecular Weight: 401.52
• CAS Registry Number: 113558-89-7
• SMILES: C3=C(C(=O)C1CCN(CC1)CCC2=NC(=CC=C2)C)C=CC(=C3)N[S](=O)(=O)C
• InChI: 1S/C21H27N3O3S/c1-16-4-3-5-19(22-16)12-15-24-13-10-18(11-14-24)21(25)17-6-8-20(9-7-17)23-28(2,26)27/h3-9,18,23H,10-15H2,1-2H3
• InChIKey: SRUISGSHWFJION-UHFFFAOYSA-N

Properties

• Density: 1.244g/cm³ (Cal.)
• Boiling point: 561.664°C at 760 mmHg (Cal.)
• Flash point: 293.484°C (Cal.)

References

• (1): Claire L. Gavaghan, Catrin Hasselgren Arnby, Niklas Blomberg, Gert Strandlund and Scott Boyer. Development, interpretation and temporal evaluation of a global QSAR of hERG electrophysiology screening data, J Comput.-aided Mol. Des. 2007, 21(4), 189-206