5-chloro-2-(4,4-difluoroazepan-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide;ethane

C20H26ClF2N5O3S — CID 169124911

IUPAC5-chloro-2-(4,4-difluoroazepan-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide;ethane
SMILESCC.Cc1nc(N2CCCC(F)(F)CC2)c(C(=O)Nc2ccnc(S(N)(=O)=O)c2)cc1Cl
InChIInChI=1S/C18H20ClF2N5O3S.C2H6/c1-11-14(19)10-13(16(24-11)26-7-2-4-18(20,21)5-8-26)17(27)25-12-3-6-23-15(9-12)30(22,28)29;1-2/h3,6,9-10H,2,4-5,7-8H2,1H3,(H2,22,28,29)(H,23,25,27);1-2H3
InChIKeyYRYGWQLJXKTFAJ-UHFFFAOYSA-N
MW489.98 g/mol
LogP3.99
Rot. Bonds4

About 5-chloro-2-(4,4-difluoroazepan-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide;ethane

5-chloro-2-(4,4-difluoroazepan-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide;ethane (PubChem CID 169124911) has the molecular formula C20H26ClF2N5O3S and a molecular weight of 489.98 g/mol. Its IUPAC name is 5-chloro-2-(4,4-difluoroazepan-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide;ethane.

Molecular Properties

Compound Name5-chloro-2-(4,4-difluoroazepan-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide;ethane
PubChem CID169124911
Molecular FormulaC20H26ClF2N5O3S
Molecular Weight489.98 g/mol
Exact Mass489.14
IUPAC Name5-chloro-2-(4,4-difluoroazepan-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide;ethane
SMILESCC.Cc1nc(N2CCCC(F)(F)CC2)c(C(=O)Nc2ccnc(S(N)(=O)=O)c2)cc1Cl
InChIInChI=1S/C18H20ClF2N5O3S.C2H6/c1-11-14(19)10-13(16(24-11)26-7-2-4-18(20,21)5-8-26)17(27)25-12-3-6-23-15(9-12)30(22,28)29;1-2/h3,6,9-10H,2,4-5,7-8H2,1H3,(H2,22,28,29)(H,23,25,27);1-2H3
InChIKeyYRYGWQLJXKTFAJ-UHFFFAOYSA-N
XLogP3.99
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.98
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4,4-difluoroazepan-1-yl)-5-isocyano-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
CID 153490313
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
5-chloro-2-(4,4-difluoro-3,5-dimethylpiperidin-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
CID 146576273
2-(4,4-difluoropiperidin-1-yl)-5-piperidin-1-yl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
CID 146525973
5-(cyclopropylmethyl)-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
CID 146525835
2-(4,4-difluoroazepan-1-yl)-6,7-dimethyl-N-[2-(methylsulfonimidoyl)-4-pyridinyl]quinoline-3-carboxamide
CID 177101555
6-chloro-2-(4,4-difluoroazepan-1-yl)-N-[2-(methylsulfonimidoyl)-4-pyridinyl]-7-(trifluoromethyl)quinoline-3-carboxamide
CID 177101549
5-chloro-6-cyclobutyl-2-[(3S,5R)-4,4-difluoro-3,5-dimethylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
CID 146525701
2-(4,4-difluoro-3-methylpiperidin-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
CID 158871475
N-[2-[bis[(2,4-dimethoxyphenyl)methyl]sulfamoyl]-4-pyridinyl]-5-cyano-2-(4,4-difluoroazepan-1-yl)-6-methylpyridine-3-carboxamide
CID 146526092
2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 169264214

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4,4-difluoroazepan-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide;ethane?
The IUPAC name of 5-chloro-2-(4,4-difluoroazepan-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide;ethane (CID 169124911) is 5-chloro-2-(4,4-difluoroazepan-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide;ethane.
What is the SMILES notation for 5-chloro-2-(4,4-difluoroazepan-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide;ethane?
The canonical SMILES for 5-chloro-2-(4,4-difluoroazepan-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide;ethane is CC.Cc1nc(N2CCCC(F)(F)CC2)c(C(=O)Nc2ccnc(S(N)(=O)=O)c2)cc1Cl.
What is the InChIKey of 5-chloro-2-(4,4-difluoroazepan-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide;ethane?
The InChIKey is YRYGWQLJXKTFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClF2N5O3S.C2H6/c1-11-14(19)10-13(16(24-11)26-7-2-4-18(20,21)5-8-26)17(27)25-12-3-6-23-15(9-12)30(22,28)29;1-2/h3,6,9-10H,2,4-5,7-8H2,1H3,(H2,22,28,29)(H,23,25,27);1-2H3.
What are the key properties of 5-chloro-2-(4,4-difluoroazepan-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide;ethane?
5-chloro-2-(4,4-difluoroazepan-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide;ethane has a molecular weight of 489.98 g/mol, XLogP of 3.99, 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-difluoroazepan-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide;ethane is sourced from PubChem (CID 169124911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).