6-chloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-3-carboxamide

C18H20ClN3O3S — CID 9492793

IUPAC6-chloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-3-carboxamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)nc3)cc2)CC1
InChIInChI=1S/C18H20ClN3O3S/c1-13-8-10-22(11-9-13)26(24,25)16-5-3-15(4-6-16)21-18(23)14-2-7-17(19)20-12-14/h2-7,12-13H,8-11H2,1H3,(H,21,23)
InChIKeyWLGGIJRIXFRZAV-UHFFFAOYSA-N
MW393.90 g/mol
LogP3.41
Rot. Bonds4

About 6-chloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-3-carboxamide

6-chloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-3-carboxamide (PubChem CID 9492793) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is 6-chloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-3-carboxamide
PubChem CID9492793
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC Name6-chloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-3-carboxamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)nc3)cc2)CC1
InChIInChI=1S/C18H20ClN3O3S/c1-13-8-10-22(11-9-13)26(24,25)16-5-3-15(4-6-16)21-18(23)14-2-7-17(19)20-12-14/h2-7,12-13H,8-11H2,1H3,(H,21,23)
InChIKeyWLGGIJRIXFRZAV-UHFFFAOYSA-N
XLogP3.41
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 53.41
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

4-fluoro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 1010611
4-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 18274530
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-(propanoylamino)benzamide
CID 3307989
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide
CID 26187503
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-propoxybenzamide
CID 4938426
4-(4-methylpiperidin-1-yl)sulfonyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 26269172
N-[4-(4-methylpiperidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9033710
3,5-dichloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-pentoxybenzamide
CID 18848821
4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-2-pyridinyl)benzamide
CID 24982872
4-(3-methylbutoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 4948201
1-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-oxopyridine-4-carboxamide
CID 39991070
N-(3-chloro-2-methylphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 26115158

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-3-carboxamide (CID 9492793) is 6-chloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-3-carboxamide is CC1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)nc3)cc2)CC1.
What is the InChIKey of 6-chloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-3-carboxamide?
The InChIKey is WLGGIJRIXFRZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c1-13-8-10-22(11-9-13)26(24,25)16-5-3-15(4-6-16)21-18(23)14-2-7-17(19)20-12-14/h2-7,12-13H,8-11H2,1H3,(H,21,23).
What are the key properties of 6-chloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-3-carboxamide?
6-chloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-3-carboxamide has a molecular weight of 393.90 g/mol, XLogP of 3.41, 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-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 9492793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).