5-chloro-2-(4,4-difluoropiperidin-1-yl)-4,6-dimethyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide

C18H20ClF2N5O3S — CID 146525853

IUPAC5-chloro-2-(4,4-difluoropiperidin-1-yl)-4,6-dimethyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide
SMILESCc1nc(N2CCC(F)(F)CC2)c(C(=O)Nc2cncc(S(N)(=O)=O)c2)c(C)c1Cl
InChIInChI=1S/C18H20ClF2N5O3S/c1-10-14(17(27)25-12-7-13(9-23-8-12)30(22,28)29)16(24-11(2)15(10)19)26-5-3-18(20,21)4-6-26/h7-9H,3-6H2,1-2H3,(H,25,27)(H2,22,28,29)
InChIKeyPVEBVODTLMZRFA-UHFFFAOYSA-N
MW459.91 g/mol
LogP2.88
Rot. Bonds4

About 5-chloro-2-(4,4-difluoropiperidin-1-yl)-4,6-dimethyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide

5-chloro-2-(4,4-difluoropiperidin-1-yl)-4,6-dimethyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide (PubChem CID 146525853) has the molecular formula C18H20ClF2N5O3S and a molecular weight of 459.91 g/mol. Its IUPAC name is 5-chloro-2-(4,4-difluoropiperidin-1-yl)-4,6-dimethyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(4,4-difluoropiperidin-1-yl)-4,6-dimethyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide
PubChem CID146525853
Molecular FormulaC18H20ClF2N5O3S
Molecular Weight459.91 g/mol
Exact Mass459.09
IUPAC Name5-chloro-2-(4,4-difluoropiperidin-1-yl)-4,6-dimethyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide
SMILESCc1nc(N2CCC(F)(F)CC2)c(C(=O)Nc2cncc(S(N)(=O)=O)c2)c(C)c1Cl
InChIInChI=1S/C18H20ClF2N5O3S/c1-10-14(17(27)25-12-7-13(9-23-8-12)30(22,28)29)16(24-11(2)15(10)19)26-5-3-18(20,21)4-6-26/h7-9H,3-6H2,1-2H3,(H,25,27)(H2,22,28,29)
InChIKeyPVEBVODTLMZRFA-UHFFFAOYSA-N
XLogP2.88
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.91
LogP ≤ 52.88
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)-4,6-dimethyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-2-(4,4-difluoropiperidin-1-yl)-4,6-dimethyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide (CID 146525853) is 5-chloro-2-(4,4-difluoropiperidin-1-yl)-4,6-dimethyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-2-(4,4-difluoropiperidin-1-yl)-4,6-dimethyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-2-(4,4-difluoropiperidin-1-yl)-4,6-dimethyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide is Cc1nc(N2CCC(F)(F)CC2)c(C(=O)Nc2cncc(S(N)(=O)=O)c2)c(C)c1Cl.
What is the InChIKey of 5-chloro-2-(4,4-difluoropiperidin-1-yl)-4,6-dimethyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide?
The InChIKey is PVEBVODTLMZRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClF2N5O3S/c1-10-14(17(27)25-12-7-13(9-23-8-12)30(22,28)29)16(24-11(2)15(10)19)26-5-3-18(20,21)4-6-26/h7-9H,3-6H2,1-2H3,(H,25,27)(H2,22,28,29).
What are the key properties of 5-chloro-2-(4,4-difluoropiperidin-1-yl)-4,6-dimethyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide?
5-chloro-2-(4,4-difluoropiperidin-1-yl)-4,6-dimethyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide has a molecular weight of 459.91 g/mol, XLogP of 2.88, 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)-4,6-dimethyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 146525853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).