5-(cyclopropylmethyl)-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide

C21H25F2N5O3S — CID 146525835

IUPAC5-(cyclopropylmethyl)-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
SMILESNS(=O)(=O)c1cc(NC(=O)c2cc(CC3CC3)cnc2N2CCCC(F)(F)CC2)ccn1
InChIInChI=1S/C21H25F2N5O3S/c22-21(23)5-1-8-28(9-6-21)19-17(11-15(13-26-19)10-14-2-3-14)20(29)27-16-4-7-25-18(12-16)32(24,30)31/h4,7,11-14H,1-3,5-6,8-10H2,(H2,24,30,31)(H,25,27,29)
InChIKeyMLNHJUHDJAFYTC-UHFFFAOYSA-N
MW465.53 g/mol
LogP2.95
Rot. Bonds6

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

5-(cyclopropylmethyl)-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide (PubChem CID 146525835) has the molecular formula C21H25F2N5O3S and a molecular weight of 465.53 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
PubChem CID146525835
Molecular FormulaC21H25F2N5O3S
Molecular Weight465.53 g/mol
Exact Mass465.16
IUPAC Name5-(cyclopropylmethyl)-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
SMILESNS(=O)(=O)c1cc(NC(=O)c2cc(CC3CC3)cnc2N2CCCC(F)(F)CC2)ccn1
InChIInChI=1S/C21H25F2N5O3S/c22-21(23)5-1-8-28(9-6-21)19-17(11-15(13-26-19)10-14-2-3-14)20(29)27-16-4-7-25-18(12-16)32(24,30)31/h4,7,11-14H,1-3,5-6,8-10H2,(H2,24,30,31)(H,25,27,29)
InChIKeyMLNHJUHDJAFYTC-UHFFFAOYSA-N
XLogP2.95
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(cyclopropylmethyl)-2-(4,4-difluoroazepan-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-yl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
CID 146525973
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-difluoroazepan-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide;ethane
CID 169124911
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
[[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
2-[(1S,5R)-3-azabicyclo[3.2.0]heptan-3-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525717
2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525749
5-methyl-N-(2-sulfamoyl-4-pyridinyl)-2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridine-3-carboxamide
CID 157158718
6-(cyclopropylmethyl)-2-(4,4-difluoroazepan-1-yl)-N-phenylpyridine-3-carboxamide;methanethiol
CID 176694719

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 5-(cyclopropylmethyl)-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide (CID 146525835) is 5-(cyclopropylmethyl)-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(cyclopropylmethyl)-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(cyclopropylmethyl)-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide is NS(=O)(=O)c1cc(NC(=O)c2cc(CC3CC3)cnc2N2CCCC(F)(F)CC2)ccn1.
What is the InChIKey of 5-(cyclopropylmethyl)-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
The InChIKey is MLNHJUHDJAFYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N5O3S/c22-21(23)5-1-8-28(9-6-21)19-17(11-15(13-26-19)10-14-2-3-14)20(29)27-16-4-7-25-18(12-16)32(24,30)31/h4,7,11-14H,1-3,5-6,8-10H2,(H2,24,30,31)(H,25,27,29).
What are the key properties of 5-(cyclopropylmethyl)-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
5-(cyclopropylmethyl)-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide has a molecular weight of 465.53 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 146525835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).