2-(azepan-1-yl)-N-(6-sulfamoyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide

C18H20F3N5O3S — CID 146526033

IUPAC2-(azepan-1-yl)-N-(6-sulfamoyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2cc(C(F)(F)F)cnc2N2CCCCCC2)n1
InChIInChI=1S/C18H20F3N5O3S/c19-18(20,21)12-10-13(16(23-11-12)26-8-3-1-2-4-9-26)17(27)25-14-6-5-7-15(24-14)30(22,28)29/h5-7,10-11H,1-4,8-9H2,(H2,22,28,29)(H,24,25,27)
InChIKeyFZEKQQAMAKSZEK-UHFFFAOYSA-N
MW443.45 g/mol
LogP2.78
Rot. Bonds4

About 2-(azepan-1-yl)-N-(6-sulfamoyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide

2-(azepan-1-yl)-N-(6-sulfamoyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 146526033) has the molecular formula C18H20F3N5O3S and a molecular weight of 443.45 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(6-sulfamoyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(6-sulfamoyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID146526033
Molecular FormulaC18H20F3N5O3S
Molecular Weight443.45 g/mol
Exact Mass443.12
IUPAC Name2-(azepan-1-yl)-N-(6-sulfamoyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2cc(C(F)(F)F)cnc2N2CCCCCC2)n1
InChIInChI=1S/C18H20F3N5O3S/c19-18(20,21)12-10-13(16(23-11-12)26-8-3-1-2-4-9-26)17(27)25-14-6-5-7-15(24-14)30(22,28)29/h5-7,10-11H,1-4,8-9H2,(H2,22,28,29)(H,24,25,27)
InChIKeyFZEKQQAMAKSZEK-UHFFFAOYSA-N
XLogP2.78
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.45
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(N-((4-Hydroxy-6-methoxypyrimidin-2-yl)carbamoyl)sulfamoyl)-N,N-dimethylnicotinamide
CID 139595163
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
N-(2-aminophenyl)-6-(3,3-dimethyl-4-(phenylsulfonyl)piperazin-1-yl)nicotinamide
CID 16662808
5-chloro-6-cyclopropyl-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525693
5-chloro-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525741
2-(4,4-difluoroazepan-1-yl)-6-methyl-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525761
2-(4,4-difluoroazepan-1-yl)-5,6-dimethyl-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525762
2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 146525795
6-chloro-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525797

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(6-sulfamoyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(azepan-1-yl)-N-(6-sulfamoyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide (CID 146526033) is 2-(azepan-1-yl)-N-(6-sulfamoyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-(6-sulfamoyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(azepan-1-yl)-N-(6-sulfamoyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide is NS(=O)(=O)c1cccc(NC(=O)c2cc(C(F)(F)F)cnc2N2CCCCCC2)n1.
What is the InChIKey of 2-(azepan-1-yl)-N-(6-sulfamoyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is FZEKQQAMAKSZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O3S/c19-18(20,21)12-10-13(16(23-11-12)26-8-3-1-2-4-9-26)17(27)25-14-6-5-7-15(24-14)30(22,28)29/h5-7,10-11H,1-4,8-9H2,(H2,22,28,29)(H,24,25,27).
What are the key properties of 2-(azepan-1-yl)-N-(6-sulfamoyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
2-(azepan-1-yl)-N-(6-sulfamoyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 443.45 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-(6-sulfamoyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 146526033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).