N-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide

C13H19N3O3S — CID 47021102

IUPACN-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)c2ccccn2)CC1
InChIInChI=1S/C13H19N3O3S/c1-2-20(18,19)16-9-6-11(7-10-16)15-13(17)12-5-3-4-8-14-12/h3-5,8,11H,2,6-7,9-10H2,1H3,(H,15,17)
InChIKeySCUNQWDYESZBOT-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.63
Rot. Bonds4

About N-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide

N-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide (PubChem CID 47021102) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
PubChem CID47021102
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)c2ccccn2)CC1
InChIInChI=1S/C13H19N3O3S/c1-2-20(18,19)16-9-6-11(7-10-16)15-13(17)12-5-3-4-8-14-12/h3-5,8,11H,2,6-7,9-10H2,1H3,(H,15,17)
InChIKeySCUNQWDYESZBOT-UHFFFAOYSA-N
XLogP0.63
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide
CID 69401322
N-[4-(pyridine-2-carbonylamino)cyclohexyl]pyridine-2-carboxamide
CID 167956409
6-bromo-N-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 103916664
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-2-carboxamide
CID 108562768
6-chloro-N-(1-ethylsulfonylpiperidin-4-yl)pyridazine-3-carboxamide
CID 61249649
N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 108562781
N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide
CID 59568965
N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 24633709
ethyl 4-oxo-4-[4-(pyridine-2-carbonylamino)piperidin-1-yl]butanoate
CID 108562777
butyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate
CID 108562788
N-(1-ethylsulfonylpiperidin-4-yl)pyridazine-4-carboxamide
CID 127667132
N-[1-(tert-butylcarbamoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110822407

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide (CID 47021102) is N-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide is CCS(=O)(=O)N1CCC(NC(=O)c2ccccn2)CC1.
What is the InChIKey of N-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide?
The InChIKey is SCUNQWDYESZBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-2-20(18,19)16-9-6-11(7-10-16)15-13(17)12-5-3-4-8-14-12/h3-5,8,11H,2,6-7,9-10H2,1H3,(H,15,17).
What are the key properties of N-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide?
N-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 47021102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).