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

C21H26F2N6O3S — CID 146525973

IUPAC2-(4,4-difluoropiperidin-1-yl)-5-piperidin-1-yl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
SMILESNS(=O)(=O)c1cc(NC(=O)c2cc(N3CCCCC3)cnc2N2CCC(F)(F)CC2)ccn1
InChIInChI=1S/C21H26F2N6O3S/c22-21(23)5-10-29(11-6-21)19-17(13-16(14-26-19)28-8-2-1-3-9-28)20(30)27-15-4-7-25-18(12-15)33(24,31)32/h4,7,12-14H,1-3,5-6,8-11H2,(H2,24,31,32)(H,25,27,30)
InChIKeyHYEOFLIOALGWOW-UHFFFAOYSA-N
MW480.54 g/mol
LogP2.60
Rot. Bonds5

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

2-(4,4-difluoropiperidin-1-yl)-5-piperidin-1-yl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide (PubChem CID 146525973) has the molecular formula C21H26F2N6O3S and a molecular weight of 480.54 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-5-piperidin-1-yl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-5-piperidin-1-yl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
PubChem CID146525973
Molecular FormulaC21H26F2N6O3S
Molecular Weight480.54 g/mol
Exact Mass480.18
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-5-piperidin-1-yl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
SMILESNS(=O)(=O)c1cc(NC(=O)c2cc(N3CCCCC3)cnc2N2CCC(F)(F)CC2)ccn1
InChIInChI=1S/C21H26F2N6O3S/c22-21(23)5-10-29(11-6-21)19-17(13-16(14-26-19)28-8-2-1-3-9-28)20(30)27-15-4-7-25-18(12-15)33(24,31)32/h4,7,12-14H,1-3,5-6,8-11H2,(H2,24,31,32)(H,25,27,30)
InChIKeyHYEOFLIOALGWOW-UHFFFAOYSA-N
XLogP2.60
TPSA121.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(4,4-difluoropiperidin-1-yl)-5-piperidin-1-yl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide with MolForge

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Related Compounds

[[2-(4,4-difluoropiperidin-1-yl)-5-piperidin-1-ylpyridine-3-carbonyl]-(2-sulfamoyl-4-pyridinyl)amino] N-tert-butyl-N-[[4-[[2-(4,4-difluoropiperidin-1-yl)-5-piperidin-1-ylpyridine-3-carbonyl]amino]-2-pyridinyl]sulfonyl]carbamate
CID 167313474
5-chloro-2-(4,4-difluoroazepan-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide;ethane
CID 169124911
5-(cyclopropylmethyl)-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
CID 146525835
2-(4,4-difluoroazepan-1-yl)-6-fluoro-N-(2-sulfamoyl-4-pyridinyl)quinoline-3-carboxamide
CID 169264512
2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 167111744
2-(4,4-difluoroazepan-1-yl)-5-isocyano-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
CID 153490313
5-methyl-N-(2-sulfamoyl-4-pyridinyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 147818169
2-(4,4-difluoroazepan-1-yl)-6,7-dimethyl-N-[2-(methylsulfonimidoyl)-4-pyridinyl]quinoline-3-carboxamide
CID 177101555
tert-butyl N-[[4-[[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]-2-pyridinyl]sulfonyl]carbamate
CID 156902015
2-[(1S,5R)-3-azabicyclo[3.2.0]heptan-3-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525717
2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 169264214
5-chloro-2-(4,4-difluoro-3,5-dimethylpiperidin-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
CID 146576273

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-5-piperidin-1-yl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-5-piperidin-1-yl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide (CID 146525973) is 2-(4,4-difluoropiperidin-1-yl)-5-piperidin-1-yl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-5-piperidin-1-yl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-5-piperidin-1-yl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide is NS(=O)(=O)c1cc(NC(=O)c2cc(N3CCCCC3)cnc2N2CCC(F)(F)CC2)ccn1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-5-piperidin-1-yl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
The InChIKey is HYEOFLIOALGWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N6O3S/c22-21(23)5-10-29(11-6-21)19-17(13-16(14-26-19)28-8-2-1-3-9-28)20(30)27-15-4-7-25-18(12-15)33(24,31)32/h4,7,12-14H,1-3,5-6,8-11H2,(H2,24,31,32)(H,25,27,30).
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-5-piperidin-1-yl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
2-(4,4-difluoropiperidin-1-yl)-5-piperidin-1-yl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide has a molecular weight of 480.54 g/mol, XLogP of 2.60, 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)-5-piperidin-1-yl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 146525973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).