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

C18H19F4N5O4S — CID 146525686

IUPAC2-(4,4-difluoroazepan-1-yl)-5-(difluoromethoxy)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
SMILESNS(=O)(=O)c1cc(NC(=O)c2cc(OC(F)F)cnc2N2CCCC(F)(F)CC2)ccn1
InChIInChI=1S/C18H19F4N5O4S/c19-17(20)31-12-9-13(15(25-10-12)27-6-1-3-18(21,22)4-7-27)16(28)26-11-2-5-24-14(8-11)32(23,29)30/h2,5,8-10,17H,1,3-4,6-7H2,(H2,23,29,30)(H,24,26,28)
InChIKeyNHWILFFZZNOQOE-UHFFFAOYSA-N
MW477.44 g/mol
LogP2.60
Rot. Bonds6

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

2-(4,4-difluoroazepan-1-yl)-5-(difluoromethoxy)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide (PubChem CID 146525686) has the molecular formula C18H19F4N5O4S and a molecular weight of 477.44 g/mol. Its IUPAC name is 2-(4,4-difluoroazepan-1-yl)-5-(difluoromethoxy)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4,4-difluoroazepan-1-yl)-5-(difluoromethoxy)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
PubChem CID146525686
Molecular FormulaC18H19F4N5O4S
Molecular Weight477.44 g/mol
Exact Mass477.11
IUPAC Name2-(4,4-difluoroazepan-1-yl)-5-(difluoromethoxy)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
SMILESNS(=O)(=O)c1cc(NC(=O)c2cc(OC(F)F)cnc2N2CCCC(F)(F)CC2)ccn1
InChIInChI=1S/C18H19F4N5O4S/c19-17(20)31-12-9-13(15(25-10-12)27-6-1-3-18(21,22)4-7-27)16(28)26-11-2-5-24-14(8-11)32(23,29)30/h2,5,8-10,17H,1,3-4,6-7H2,(H2,23,29,30)(H,24,26,28)
InChIKeyNHWILFFZZNOQOE-UHFFFAOYSA-N
XLogP2.60
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.44
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)-5-(trifluoromethoxy)pyridine-3-carboxamide
CID 146525665
6-[(5-methoxy-2-pyridinyl)amino]-N-methyl-4-(2-methylsulfonylanilino)pyridine-3-carboxamide
CID 155517469
US11377438, Example 192
CID 146525662
US11377438, Example 42
CID 146525671
US11377438, Example 118
CID 146525678
US11377438, Example 107
CID 146525683
US11377438, Example 106
CID 146525708
US11377438, Example 146
CID 146525710
US11377438, Example 104
CID 146525730
US11377438, Example 111
CID 146525739
US11377438, Example 119
CID 146525748
US11377438, Example 182
CID 146525763

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoroazepan-1-yl)-5-(difluoromethoxy)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 2-(4,4-difluoroazepan-1-yl)-5-(difluoromethoxy)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide (CID 146525686) is 2-(4,4-difluoroazepan-1-yl)-5-(difluoromethoxy)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(4,4-difluoroazepan-1-yl)-5-(difluoromethoxy)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(4,4-difluoroazepan-1-yl)-5-(difluoromethoxy)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide is NS(=O)(=O)c1cc(NC(=O)c2cc(OC(F)F)cnc2N2CCCC(F)(F)CC2)ccn1.
What is the InChIKey of 2-(4,4-difluoroazepan-1-yl)-5-(difluoromethoxy)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
The InChIKey is NHWILFFZZNOQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F4N5O4S/c19-17(20)31-12-9-13(15(25-10-12)27-6-1-3-18(21,22)4-7-27)16(28)26-11-2-5-24-14(8-11)32(23,29)30/h2,5,8-10,17H,1,3-4,6-7H2,(H2,23,29,30)(H,24,26,28).
What are the key properties of 2-(4,4-difluoroazepan-1-yl)-5-(difluoromethoxy)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
2-(4,4-difluoroazepan-1-yl)-5-(difluoromethoxy)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide has a molecular weight of 477.44 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoroazepan-1-yl)-5-(difluoromethoxy)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 146525686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).