6-chloro-N-(4-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide

C17H18ClN3O3S — CID 2121872

IUPAC6-chloro-N-(4-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Cl)nc1
InChIInChI=1S/C17H18ClN3O3S/c18-16-9-4-13(12-19-16)17(22)20-14-5-7-15(8-6-14)25(23,24)21-10-2-1-3-11-21/h4-9,12H,1-3,10-11H2,(H,20,22)
InChIKeyKAQKTURQJXCNOF-UHFFFAOYSA-N
MW379.87 g/mol
LogP3.16
Rot. Bonds4

About 6-chloro-N-(4-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide

6-chloro-N-(4-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide (PubChem CID 2121872) has the molecular formula C17H18ClN3O3S and a molecular weight of 379.87 g/mol. Its IUPAC name is 6-chloro-N-(4-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(4-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
PubChem CID2121872
Molecular FormulaC17H18ClN3O3S
Molecular Weight379.87 g/mol
Exact Mass379.08
IUPAC Name6-chloro-N-(4-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Cl)nc1
InChIInChI=1S/C17H18ClN3O3S/c18-16-9-4-13(12-19-16)17(22)20-14-5-7-15(8-6-14)25(23,24)21-10-2-1-3-11-21/h4-9,12H,1-3,10-11H2,(H,20,22)
InChIKeyKAQKTURQJXCNOF-UHFFFAOYSA-N
XLogP3.16
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 53.16
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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(4-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide (CID 2121872) is 6-chloro-N-(4-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(4-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(4-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(4-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
The InChIKey is KAQKTURQJXCNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3S/c18-16-9-4-13(12-19-16)17(22)20-14-5-7-15(8-6-14)25(23,24)21-10-2-1-3-11-21/h4-9,12H,1-3,10-11H2,(H,20,22).
What are the key properties of 6-chloro-N-(4-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
6-chloro-N-(4-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide has a molecular weight of 379.87 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 2121872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).