2-[1-(benzenesulfonyl)piperidin-4-yl]-6-methyl-N-(4-methylphenyl)pyridine-3-carboxamide

C25H27N3O3S — CID 46158433

IUPAC2-[1-(benzenesulfonyl)piperidin-4-yl]-6-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(C)nc2C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C25H27N3O3S/c1-18-8-11-21(12-9-18)27-25(29)23-13-10-19(2)26-24(23)20-14-16-28(17-15-20)32(30,31)22-6-4-3-5-7-22/h3-13,20H,14-17H2,1-2H3,(H,27,29)
InChIKeyCHADGISCFQNZOY-UHFFFAOYSA-N
MW449.58 g/mol
LogP4.52
Rot. Bonds5

About 2-[1-(benzenesulfonyl)piperidin-4-yl]-6-methyl-N-(4-methylphenyl)pyridine-3-carboxamide

2-[1-(benzenesulfonyl)piperidin-4-yl]-6-methyl-N-(4-methylphenyl)pyridine-3-carboxamide (PubChem CID 46158433) has the molecular formula C25H27N3O3S and a molecular weight of 449.58 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)piperidin-4-yl]-6-methyl-N-(4-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)piperidin-4-yl]-6-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
PubChem CID46158433
Molecular FormulaC25H27N3O3S
Molecular Weight449.58 g/mol
Exact Mass449.18
IUPAC Name2-[1-(benzenesulfonyl)piperidin-4-yl]-6-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(C)nc2C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C25H27N3O3S/c1-18-8-11-21(12-9-18)27-25(29)23-13-10-19(2)26-24(23)20-14-16-28(17-15-20)32(30,31)22-6-4-3-5-7-22/h3-13,20H,14-17H2,1-2H3,(H,27,29)
InChIKeyCHADGISCFQNZOY-UHFFFAOYSA-N
XLogP4.52
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)piperidin-4-yl]-6-methyl-N-(4-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-[1-(benzenesulfonyl)piperidin-4-yl]-6-methyl-N-(4-methylphenyl)pyridine-3-carboxamide (CID 46158433) is 2-[1-(benzenesulfonyl)piperidin-4-yl]-6-methyl-N-(4-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[1-(benzenesulfonyl)piperidin-4-yl]-6-methyl-N-(4-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[1-(benzenesulfonyl)piperidin-4-yl]-6-methyl-N-(4-methylphenyl)pyridine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(C)nc2C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of 2-[1-(benzenesulfonyl)piperidin-4-yl]-6-methyl-N-(4-methylphenyl)pyridine-3-carboxamide?
The InChIKey is CHADGISCFQNZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3S/c1-18-8-11-21(12-9-18)27-25(29)23-13-10-19(2)26-24(23)20-14-16-28(17-15-20)32(30,31)22-6-4-3-5-7-22/h3-13,20H,14-17H2,1-2H3,(H,27,29).
What are the key properties of 2-[1-(benzenesulfonyl)piperidin-4-yl]-6-methyl-N-(4-methylphenyl)pyridine-3-carboxamide?
2-[1-(benzenesulfonyl)piperidin-4-yl]-6-methyl-N-(4-methylphenyl)pyridine-3-carboxamide has a molecular weight of 449.58 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)piperidin-4-yl]-6-methyl-N-(4-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 46158433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).