N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide

C18H21N3O3S — CID 30095905

IUPACN-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C18H21N3O3S/c1-14-4-6-17(7-5-14)25(23,24)21-11-8-16(9-12-21)20-18(22)15-3-2-10-19-13-15/h2-7,10,13,16H,8-9,11-12H2,1H3,(H,20,22)
InChIKeyUEBPGUCEGLBAAZ-UHFFFAOYSA-N
MW359.45 g/mol
LogP1.97
Rot. Bonds4

About N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide

N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide (PubChem CID 30095905) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
PubChem CID30095905
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C18H21N3O3S/c1-14-4-6-17(7-5-14)25(23,24)21-11-8-16(9-12-21)20-18(22)15-3-2-10-19-13-15/h2-7,10,13,16H,8-9,11-12H2,1H3,(H,20,22)
InChIKeyUEBPGUCEGLBAAZ-UHFFFAOYSA-N
XLogP1.97
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylsulfonylpiperidin-4-yl)pyridine-3-carboxamide
CID 3218770
3-hydroxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 108562939
N-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
CID 3458992
N-[1-(2-methyl-6-nitrophenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
CID 47075501
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-methylbenzamide
CID 108559241
N-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
CID 47813459
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3,5-bis(trifluoromethyl)benzamide
CID 24609608
3,4-difluoro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 24617746
N-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
CID 47813446
N-[1-[(3R)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]pyridine-3-carboxamide
CID 52508320
3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine
CID 175864648
3,4,5-trimethoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 26073704

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide (CID 30095905) is N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cccnc3)CC2)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is UEBPGUCEGLBAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-14-4-6-17(7-5-14)25(23,24)21-11-8-16(9-12-21)20-18(22)15-3-2-10-19-13-15/h2-7,10,13,16H,8-9,11-12H2,1H3,(H,20,22).
What are the key properties of N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide?
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 30095905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).