N-(1-methylsulfonylpiperidin-4-yl)pyridine-3-carboxamide

C12H17N3O3S — CID 3218770

IUPACN-(1-methylsulfonylpiperidin-4-yl)pyridine-3-carboxamide
SMILESCS(=O)(=O)N1CCC(NC(=O)c2cccnc2)CC1
InChIInChI=1S/C12H17N3O3S/c1-19(17,18)15-7-4-11(5-8-15)14-12(16)10-3-2-6-13-9-10/h2-3,6,9,11H,4-5,7-8H2,1H3,(H,14,16)
InChIKeyRQLYZLQFXDFKRG-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.24
Rot. Bonds3

About N-(1-methylsulfonylpiperidin-4-yl)pyridine-3-carboxamide

N-(1-methylsulfonylpiperidin-4-yl)pyridine-3-carboxamide (PubChem CID 3218770) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-(1-methylsulfonylpiperidin-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-methylsulfonylpiperidin-4-yl)pyridine-3-carboxamide
PubChem CID3218770
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC NameN-(1-methylsulfonylpiperidin-4-yl)pyridine-3-carboxamide
SMILESCS(=O)(=O)N1CCC(NC(=O)c2cccnc2)CC1
InChIInChI=1S/C12H17N3O3S/c1-19(17,18)15-7-4-11(5-8-15)14-12(16)10-3-2-6-13-9-10/h2-3,6,9,11H,4-5,7-8H2,1H3,(H,14,16)
InChIKeyRQLYZLQFXDFKRG-UHFFFAOYSA-N
XLogP0.24
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
CID 30095905
N-[1-[(3R)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]pyridine-3-carboxamide
CID 52508320
N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxamide
CID 99987360
N-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
CID 3458992
N-cyclopentylpyridine-3-carboxamide
CID 805532
3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 3218769
N-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
CID 47813459
N-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
CID 47813446
N-[1-(2-methyl-6-nitrophenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
CID 47075501
4-amino-N-(1-methylsulfonylpiperidin-4-yl)benzamide;hydrochloride
CID 119699919
N-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47797205
N-[1-[4-(dimethylsulfamoyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47797104

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpiperidin-4-yl)pyridine-3-carboxamide?
The IUPAC name of N-(1-methylsulfonylpiperidin-4-yl)pyridine-3-carboxamide (CID 3218770) is N-(1-methylsulfonylpiperidin-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-methylsulfonylpiperidin-4-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(1-methylsulfonylpiperidin-4-yl)pyridine-3-carboxamide is CS(=O)(=O)N1CCC(NC(=O)c2cccnc2)CC1.
What is the InChIKey of N-(1-methylsulfonylpiperidin-4-yl)pyridine-3-carboxamide?
The InChIKey is RQLYZLQFXDFKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-19(17,18)15-7-4-11(5-8-15)14-12(16)10-3-2-6-13-9-10/h2-3,6,9,11H,4-5,7-8H2,1H3,(H,14,16).
What are the key properties of N-(1-methylsulfonylpiperidin-4-yl)pyridine-3-carboxamide?
N-(1-methylsulfonylpiperidin-4-yl)pyridine-3-carboxamide has a molecular weight of 283.35 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpiperidin-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 3218770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).