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

C19H23N3O3S — CID 108562768

IUPACN-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-2-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCC(NC(=O)c3ccccn3)CC2)c1
InChIInChI=1S/C19H23N3O3S/c1-14-6-7-15(2)18(13-14)26(24,25)22-11-8-16(9-12-22)21-19(23)17-5-3-4-10-20-17/h3-7,10,13,16H,8-9,11-12H2,1-2H3,(H,21,23)
InChIKeyVWBJZNNPDAMFOR-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.28
Rot. Bonds4

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

N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-2-carboxamide (PubChem CID 108562768) 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-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-2-carboxamide
PubChem CID108562768
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-2-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCC(NC(=O)c3ccccn3)CC2)c1
InChIInChI=1S/C19H23N3O3S/c1-14-6-7-15(2)18(13-14)26(24,25)22-11-8-16(9-12-22)21-19(23)17-5-3-4-10-20-17/h3-7,10,13,16H,8-9,11-12H2,1-2H3,(H,21,23)
InChIKeyVWBJZNNPDAMFOR-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-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-4-carboxamide
CID 108562425
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108561709
N-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 47021102
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide
CID 108559603
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide
CID 108559576
2-chloro-N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 108559899
N-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]pyridine-2-carboxamide
CID 86785909
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-(3-methylbenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110820295
2-(2,4-dimethylphenoxy)-N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108559999
N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]pyridine-2-carboxamide
CID 11639788

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-2-carboxamide (CID 108562768) is N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-2-carboxamide is Cc1ccc(C)c(S(=O)(=O)N2CCC(NC(=O)c3ccccn3)CC2)c1.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-2-carboxamide?
The InChIKey is VWBJZNNPDAMFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-14-6-7-15(2)18(13-14)26(24,25)22-11-8-16(9-12-22)21-19(23)17-5-3-4-10-20-17/h3-7,10,13,16H,8-9,11-12H2,1-2H3,(H,21,23).
What are the key properties of N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-2-carboxamide?
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-2-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-2-carboxamide is sourced from PubChem (CID 108562768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).