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

C12H15Cl2N3O3S — CID 60734326

IUPAC2,6-dichloro-N-(1-methylsulfonylpiperidin-4-yl)pyridine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(NC(=O)c2cc(Cl)nc(Cl)c2)CC1
InChIInChI=1S/C12H15Cl2N3O3S/c1-21(19,20)17-4-2-9(3-5-17)15-12(18)8-6-10(13)16-11(14)7-8/h6-7,9H,2-5H2,1H3,(H,15,18)
InChIKeyCSXRUKWWBIPLJX-UHFFFAOYSA-N
MW352.24 g/mol
LogP1.54
Rot. Bonds3

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

2,6-dichloro-N-(1-methylsulfonylpiperidin-4-yl)pyridine-4-carboxamide (PubChem CID 60734326) has the molecular formula C12H15Cl2N3O3S and a molecular weight of 352.24 g/mol. Its IUPAC name is 2,6-dichloro-N-(1-methylsulfonylpiperidin-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(1-methylsulfonylpiperidin-4-yl)pyridine-4-carboxamide
PubChem CID60734326
Molecular FormulaC12H15Cl2N3O3S
Molecular Weight352.24 g/mol
Exact Mass351.02
IUPAC Name2,6-dichloro-N-(1-methylsulfonylpiperidin-4-yl)pyridine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(NC(=O)c2cc(Cl)nc(Cl)c2)CC1
InChIInChI=1S/C12H15Cl2N3O3S/c1-21(19,20)17-4-2-9(3-5-17)15-12(18)8-6-10(13)16-11(14)7-8/h6-7,9H,2-5H2,1H3,(H,15,18)
InChIKeyCSXRUKWWBIPLJX-UHFFFAOYSA-N
XLogP1.54
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 51.54
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

3-bromo-5-chloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 103826480
N-(1-tert-butylpiperidin-4-yl)-2,6-dichloropyridine-4-carboxamide
CID 61042495
6-chloro-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 170610856
2,6-dichloro-N-(1,2-dimethylpiperidin-4-yl)pyridine-4-carboxamide
CID 79005722
2,6-dichloro-N-cyclohexylpyridine-4-carboxamide
CID 26719449
4-methoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 39999639
4-amino-N-(1-methylsulfonylpiperidin-4-yl)benzamide;hydrochloride
CID 119699919
2,5-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 108561587
3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 3218769
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2,6-dichloropyridine-4-carboxamide
CID 112731766
N-(1-methylsulfonylpiperidin-4-yl)pyridine-3-carboxamide
CID 3218770
3,4-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 5017279

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(1-methylsulfonylpiperidin-4-yl)pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-(1-methylsulfonylpiperidin-4-yl)pyridine-4-carboxamide (CID 60734326) is 2,6-dichloro-N-(1-methylsulfonylpiperidin-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(1-methylsulfonylpiperidin-4-yl)pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(1-methylsulfonylpiperidin-4-yl)pyridine-4-carboxamide is CS(=O)(=O)N1CCC(NC(=O)c2cc(Cl)nc(Cl)c2)CC1.
What is the InChIKey of 2,6-dichloro-N-(1-methylsulfonylpiperidin-4-yl)pyridine-4-carboxamide?
The InChIKey is CSXRUKWWBIPLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3O3S/c1-21(19,20)17-4-2-9(3-5-17)15-12(18)8-6-10(13)16-11(14)7-8/h6-7,9H,2-5H2,1H3,(H,15,18).
What are the key properties of 2,6-dichloro-N-(1-methylsulfonylpiperidin-4-yl)pyridine-4-carboxamide?
2,6-dichloro-N-(1-methylsulfonylpiperidin-4-yl)pyridine-4-carboxamide has a molecular weight of 352.24 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(1-methylsulfonylpiperidin-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 60734326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).