2-(4,4-difluoroazepan-1-yl)-5,6-dimethyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide

C19H23F2N5O3S — CID 146525762

IUPAC2-(4,4-difluoroazepan-1-yl)-5,6-dimethyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccnc(S(N)(=O)=O)c2)c(N2CCCC(F)(F)CC2)nc1C
InChIInChI=1S/C19H23F2N5O3S/c1-12-10-15(18(27)25-14-4-7-23-16(11-14)30(22,28)29)17(24-13(12)2)26-8-3-5-19(20,21)6-9-26/h4,7,10-11H,3,5-6,8-9H2,1-2H3,(H2,22,28,29)(H,23,25,27)
InChIKeyAJTKXBXYINEDCZ-UHFFFAOYSA-N
MW439.49 g/mol
LogP2.62
Rot. Bonds4

About 2-(4,4-difluoroazepan-1-yl)-5,6-dimethyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide

2-(4,4-difluoroazepan-1-yl)-5,6-dimethyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide (PubChem CID 146525762) has the molecular formula C19H23F2N5O3S and a molecular weight of 439.49 g/mol. Its IUPAC name is 2-(4,4-difluoroazepan-1-yl)-5,6-dimethyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4,4-difluoroazepan-1-yl)-5,6-dimethyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
PubChem CID146525762
Molecular FormulaC19H23F2N5O3S
Molecular Weight439.49 g/mol
Exact Mass439.15
IUPAC Name2-(4,4-difluoroazepan-1-yl)-5,6-dimethyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccnc(S(N)(=O)=O)c2)c(N2CCCC(F)(F)CC2)nc1C
InChIInChI=1S/C19H23F2N5O3S/c1-12-10-15(18(27)25-14-4-7-23-16(11-14)30(22,28)29)17(24-13(12)2)26-8-3-5-19(20,21)6-9-26/h4,7,10-11H,3,5-6,8-9H2,1-2H3,(H2,22,28,29)(H,23,25,27)
InChIKeyAJTKXBXYINEDCZ-UHFFFAOYSA-N
XLogP2.62
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(4,4-difluoroazepan-1-yl)-5,6-dimethyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide with MolForge

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Related Compounds

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
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)-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
5-cyclobutyl-2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525815
5-(2-cyclopropylethynyl)-2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525819
6-cyclopropyl-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525857

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoroazepan-1-yl)-5,6-dimethyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 2-(4,4-difluoroazepan-1-yl)-5,6-dimethyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide (CID 146525762) is 2-(4,4-difluoroazepan-1-yl)-5,6-dimethyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(4,4-difluoroazepan-1-yl)-5,6-dimethyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(4,4-difluoroazepan-1-yl)-5,6-dimethyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide is Cc1cc(C(=O)Nc2ccnc(S(N)(=O)=O)c2)c(N2CCCC(F)(F)CC2)nc1C.
What is the InChIKey of 2-(4,4-difluoroazepan-1-yl)-5,6-dimethyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
The InChIKey is AJTKXBXYINEDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N5O3S/c1-12-10-15(18(27)25-14-4-7-23-16(11-14)30(22,28)29)17(24-13(12)2)26-8-3-5-19(20,21)6-9-26/h4,7,10-11H,3,5-6,8-9H2,1-2H3,(H2,22,28,29)(H,23,25,27).
What are the key properties of 2-(4,4-difluoroazepan-1-yl)-5,6-dimethyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
2-(4,4-difluoroazepan-1-yl)-5,6-dimethyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide has a molecular weight of 439.49 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoroazepan-1-yl)-5,6-dimethyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 146525762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).