6-fluoro-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2-carboxamide

C12H16FN3O3S — CID 115497114

IUPAC6-fluoro-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
SMILESCS(=O)(=O)N1CCC(NC(=O)c2cccc(F)n2)CC1
InChIInChI=1S/C12H16FN3O3S/c1-20(18,19)16-7-5-9(6-8-16)14-12(17)10-3-2-4-11(13)15-10/h2-4,9H,5-8H2,1H3,(H,14,17)
InChIKeyCKAAJWZSGNCCAU-UHFFFAOYSA-N
MW301.34 g/mol
LogP0.37
Rot. Bonds3

About 6-fluoro-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2-carboxamide

6-fluoro-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2-carboxamide (PubChem CID 115497114) has the molecular formula C12H16FN3O3S and a molecular weight of 301.34 g/mol. Its IUPAC name is 6-fluoro-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
PubChem CID115497114
Molecular FormulaC12H16FN3O3S
Molecular Weight301.34 g/mol
Exact Mass301.09
IUPAC Name6-fluoro-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
SMILESCS(=O)(=O)N1CCC(NC(=O)c2cccc(F)n2)CC1
InChIInChI=1S/C12H16FN3O3S/c1-20(18,19)16-7-5-9(6-8-16)14-12(17)10-3-2-4-11(13)15-10/h2-4,9H,5-8H2,1H3,(H,14,17)
InChIKeyCKAAJWZSGNCCAU-UHFFFAOYSA-N
XLogP0.37
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pyridine-2-carboxamide
CID 115497212
2,3-difluoro-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 62660672
6-bromo-N-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 103916664
N-(1-ethylpiperidin-3-yl)-6-fluoropyridine-2-carboxamide
CID 113323521
3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 3218769
N-(2,3-dihydro-1H-inden-2-yl)-6-fluoropyridine-2-carboxamide
CID 113442142
N-(1-methylsulfonylpiperidin-4-yl)pyridine-3-carboxamide
CID 3218770
4-methoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 39999639
2,6-dichloro-N-(1-methylsulfonylpiperidin-4-yl)pyridine-4-carboxamide
CID 60734326
6-chloro-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 170610856
4-amino-N-(1-methylsulfonylpiperidin-4-yl)benzamide;hydrochloride
CID 119699919
2-(methylamino)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 61378831

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2-carboxamide (CID 115497114) is 6-fluoro-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2-carboxamide is CS(=O)(=O)N1CCC(NC(=O)c2cccc(F)n2)CC1.
What is the InChIKey of 6-fluoro-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2-carboxamide?
The InChIKey is CKAAJWZSGNCCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O3S/c1-20(18,19)16-7-5-9(6-8-16)14-12(17)10-3-2-4-11(13)15-10/h2-4,9H,5-8H2,1H3,(H,14,17).
What are the key properties of 6-fluoro-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2-carboxamide?
6-fluoro-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2-carboxamide has a molecular weight of 301.34 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 115497114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).