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

C17H19F2N5O3S — CID 146525813

IUPAC2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cncc(S(N)(=O)=O)c2)c(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C17H19F2N5O3S/c1-11-2-3-14(15(22-11)24-6-4-17(18,19)5-7-24)16(25)23-12-8-13(10-21-9-12)28(20,26)27/h2-3,8-10H,4-7H2,1H3,(H,23,25)(H2,20,26,27)
InChIKeyCQJDDMIRUJDOTB-UHFFFAOYSA-N
MW411.43 g/mol
LogP1.92
Rot. Bonds4

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

2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide (PubChem CID 146525813) has the molecular formula C17H19F2N5O3S and a molecular weight of 411.43 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide
PubChem CID146525813
Molecular FormulaC17H19F2N5O3S
Molecular Weight411.43 g/mol
Exact Mass411.12
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cncc(S(N)(=O)=O)c2)c(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C17H19F2N5O3S/c1-11-2-3-14(15(22-11)24-6-4-17(18,19)5-7-24)16(25)23-12-8-13(10-21-9-12)28(20,26)27/h2-3,8-10H,4-7H2,1H3,(H,23,25)(H2,20,26,27)
InChIKeyCQJDDMIRUJDOTB-UHFFFAOYSA-N
XLogP1.92
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8-Heteroarylthiomethyldipyridodiazepinone deriv. 16
CID 515051
8-Heteroarylthiomethyldipyridodiazepinone deriv. 17
CID 515052
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CID 71547342
5-(cyclopropylmethyl)-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525835
2-(4,4-difluoroazepan-1-yl)-6-methyl-N-(2-sulfamoylpyridin-4-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525892
5-chloro-2-(4,4-difluoroazepan-1-yl)-6-methyl-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525929
6-(cyclopropylmethyl)-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146526013
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CID 10301015
6-((1R,4R)-5-Acryloyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-((6-methylpyridin-3-yl)amino)nicotinamide
CID 145982927
6-[(5-Fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide
CID 155546008
3-Amino-6-[2-fluoro-4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-N-3-pyridinyl-2-pyrazinecarboxamide
CID 10164394
2-amino-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide (CID 146525813) is 2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide is Cc1ccc(C(=O)Nc2cncc(S(N)(=O)=O)c2)c(N2CCC(F)(F)CC2)n1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide?
The InChIKey is CQJDDMIRUJDOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N5O3S/c1-11-2-3-14(15(22-11)24-6-4-17(18,19)5-7-24)16(25)23-12-8-13(10-21-9-12)28(20,26)27/h2-3,8-10H,4-7H2,1H3,(H,23,25)(H2,20,26,27).
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide?
2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide has a molecular weight of 411.43 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 146525813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).