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

C17H19F2N5O4S — CID 146525709

IUPAC2-(4,4-difluoropiperidin-1-yl)-4-methoxy-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
SMILESCOc1ccnc(N2CCC(F)(F)CC2)c1C(=O)Nc1ccnc(S(N)(=O)=O)c1
InChIInChI=1S/C17H19F2N5O4S/c1-28-12-3-7-22-15(24-8-4-17(18,19)5-9-24)14(12)16(25)23-11-2-6-21-13(10-11)29(20,26)27/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,20,26,27)(H,21,23,25)
InChIKeyWZHJGEYRHKQJEN-UHFFFAOYSA-N
MW427.43 g/mol
LogP1.62
Rot. Bonds5

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

2-(4,4-difluoropiperidin-1-yl)-4-methoxy-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide (PubChem CID 146525709) has the molecular formula C17H19F2N5O4S and a molecular weight of 427.43 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-4-methoxy-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-4-methoxy-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
PubChem CID146525709
Molecular FormulaC17H19F2N5O4S
Molecular Weight427.43 g/mol
Exact Mass427.11
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-4-methoxy-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
SMILESCOc1ccnc(N2CCC(F)(F)CC2)c1C(=O)Nc1ccnc(S(N)(=O)=O)c1
InChIInChI=1S/C17H19F2N5O4S/c1-28-12-3-7-22-15(24-8-4-17(18,19)5-9-24)14(12)16(25)23-11-2-6-21-13(10-11)29(20,26)27/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,20,26,27)(H,21,23,25)
InChIKeyWZHJGEYRHKQJEN-UHFFFAOYSA-N
XLogP1.62
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)-5-(trifluoromethoxy)pyridine-3-carboxamide
CID 146525665
US11377438, Example 110
CID 146525668
US11377438, Example 47
CID 146525676
US11377438, Example 171
CID 146525686
US11377438, Example 87
CID 146525688
US11377438, Example 80
CID 146525694
US11377438, Example 56
CID 146525698
US11377438, Example 133
CID 146525716
US11377438, Example 135
CID 146525731
US11377438, Example 175
CID 146525732
US11377438, Example 136
CID 146525740
US11377438, Example 75
CID 146525747

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-4-methoxy-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-4-methoxy-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide (CID 146525709) is 2-(4,4-difluoropiperidin-1-yl)-4-methoxy-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-4-methoxy-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-4-methoxy-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide is COc1ccnc(N2CCC(F)(F)CC2)c1C(=O)Nc1ccnc(S(N)(=O)=O)c1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-4-methoxy-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
The InChIKey is WZHJGEYRHKQJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N5O4S/c1-28-12-3-7-22-15(24-8-4-17(18,19)5-9-24)14(12)16(25)23-11-2-6-21-13(10-11)29(20,26)27/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,20,26,27)(H,21,23,25).
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-4-methoxy-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
2-(4,4-difluoropiperidin-1-yl)-4-methoxy-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide has a molecular weight of 427.43 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-4-methoxy-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 146525709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).