5-chloro-2-(4,4-difluoropiperidin-1-yl)-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide

C16H16ClF2N5O3S — CID 146525664

IUPAC5-chloro-2-(4,4-difluoropiperidin-1-yl)-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide
SMILESNS(=O)(=O)c1cncc(NC(=O)c2cc(Cl)cnc2N2CCC(F)(F)CC2)c1
InChIInChI=1S/C16H16ClF2N5O3S/c17-10-5-13(14(22-7-10)24-3-1-16(18,19)2-4-24)15(25)23-11-6-12(9-21-8-11)28(20,26)27/h5-9H,1-4H2,(H,23,25)(H2,20,26,27)
InChIKeyJTLLPOZTVOORSS-UHFFFAOYSA-N
MW431.85 g/mol
LogP2.27
Rot. Bonds4

About 5-chloro-2-(4,4-difluoropiperidin-1-yl)-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide

5-chloro-2-(4,4-difluoropiperidin-1-yl)-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide (PubChem CID 146525664) has the molecular formula C16H16ClF2N5O3S and a molecular weight of 431.85 g/mol. Its IUPAC name is 5-chloro-2-(4,4-difluoropiperidin-1-yl)-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(4,4-difluoropiperidin-1-yl)-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide
PubChem CID146525664
Molecular FormulaC16H16ClF2N5O3S
Molecular Weight431.85 g/mol
Exact Mass431.06
IUPAC Name5-chloro-2-(4,4-difluoropiperidin-1-yl)-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide
SMILESNS(=O)(=O)c1cncc(NC(=O)c2cc(Cl)cnc2N2CCC(F)(F)CC2)c1
InChIInChI=1S/C16H16ClF2N5O3S/c17-10-5-13(14(22-7-10)24-3-1-16(18,19)2-4-24)15(25)23-11-6-12(9-21-8-11)28(20,26)27/h5-9H,1-4H2,(H,23,25)(H2,20,26,27)
InChIKeyJTLLPOZTVOORSS-UHFFFAOYSA-N
XLogP2.27
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.85
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4,4-difluoropiperidin-1-yl)-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-2-(4,4-difluoropiperidin-1-yl)-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide (CID 146525664) is 5-chloro-2-(4,4-difluoropiperidin-1-yl)-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-2-(4,4-difluoropiperidin-1-yl)-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-2-(4,4-difluoropiperidin-1-yl)-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide is NS(=O)(=O)c1cncc(NC(=O)c2cc(Cl)cnc2N2CCC(F)(F)CC2)c1.
What is the InChIKey of 5-chloro-2-(4,4-difluoropiperidin-1-yl)-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide?
The InChIKey is JTLLPOZTVOORSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2N5O3S/c17-10-5-13(14(22-7-10)24-3-1-16(18,19)2-4-24)15(25)23-11-6-12(9-21-8-11)28(20,26)27/h5-9H,1-4H2,(H,23,25)(H2,20,26,27).
What are the key properties of 5-chloro-2-(4,4-difluoropiperidin-1-yl)-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide?
5-chloro-2-(4,4-difluoropiperidin-1-yl)-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide has a molecular weight of 431.85 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4,4-difluoropiperidin-1-yl)-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 146525664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).