N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-4-carboxamide

C19H23N3O3S — CID 108562425

IUPACN-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-4-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCC(NC(=O)c3ccncc3)CC2)c1
InChIInChI=1S/C19H23N3O3S/c1-14-3-4-15(2)18(13-14)26(24,25)22-11-7-17(8-12-22)21-19(23)16-5-9-20-10-6-16/h3-6,9-10,13,17H,7-8,11-12H2,1-2H3,(H,21,23)
InChIKeyYQPZUJLGVCPANG-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.28
Rot. Bonds4

About N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-4-carboxamide

N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-4-carboxamide (PubChem CID 108562425) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-4-carboxamide
PubChem CID108562425
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-4-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCC(NC(=O)c3ccncc3)CC2)c1
InChIInChI=1S/C19H23N3O3S/c1-14-3-4-15(2)18(13-14)26(24,25)22-11-7-17(8-12-22)21-19(23)16-5-9-20-10-6-16/h3-6,9-10,13,17H,7-8,11-12H2,1-2H3,(H,21,23)
InChIKeyYQPZUJLGVCPANG-UHFFFAOYSA-N
XLogP2.28
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-methylbenzamide
CID 108559242
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-2-carboxamide
CID 108562768
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide
CID 108559603
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108561709
N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethylbenzamide
CID 108562672
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide
CID 108559576
1-(2,5-dimethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119980300
N-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 32681074
N-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
CID 3458992
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-methylbenzamide
CID 108559241
2-(2,4-dimethylphenoxy)-N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108559999
3-(azepan-1-ylsulfonyl)-N-cycloheptyl-4-methylbenzamide
CID 9003730

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-4-carboxamide?
The IUPAC name of N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-4-carboxamide (CID 108562425) is N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-4-carboxamide is Cc1ccc(C)c(S(=O)(=O)N2CCC(NC(=O)c3ccncc3)CC2)c1.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-4-carboxamide?
The InChIKey is YQPZUJLGVCPANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-14-3-4-15(2)18(13-14)26(24,25)22-11-7-17(8-12-22)21-19(23)16-5-9-20-10-6-16/h3-6,9-10,13,17H,7-8,11-12H2,1-2H3,(H,21,23).
What are the key properties of N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-4-carboxamide?
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-4-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-4-carboxamide is sourced from PubChem (CID 108562425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).