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

C21H24ClF2N5O3S — CID 146525906

IUPAC5-chloro-6-cyclobutyl-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
SMILESNS(=O)(=O)c1cc(NC(=O)c2cc(Cl)c(C3CCC3)nc2N2CCCC(F)(F)CC2)ccn1
InChIInChI=1S/C21H24ClF2N5O3S/c22-16-12-15(20(30)27-14-5-8-26-17(11-14)33(25,31)32)19(28-18(16)13-3-1-4-13)29-9-2-6-21(23,24)7-10-29/h5,8,11-13H,1-4,6-7,9-10H2,(H2,25,31,32)(H,26,27,30)
InChIKeyFHDVCWFHFVMUHZ-UHFFFAOYSA-N
MW499.97 g/mol
LogP3.92
Rot. Bonds5

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

5-chloro-6-cyclobutyl-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide (PubChem CID 146525906) has the molecular formula C21H24ClF2N5O3S and a molecular weight of 499.97 g/mol. Its IUPAC name is 5-chloro-6-cyclobutyl-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-cyclobutyl-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
PubChem CID146525906
Molecular FormulaC21H24ClF2N5O3S
Molecular Weight499.97 g/mol
Exact Mass499.13
IUPAC Name5-chloro-6-cyclobutyl-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
SMILESNS(=O)(=O)c1cc(NC(=O)c2cc(Cl)c(C3CCC3)nc2N2CCCC(F)(F)CC2)ccn1
InChIInChI=1S/C21H24ClF2N5O3S/c22-16-12-15(20(30)27-14-5-8-26-17(11-14)33(25,31)32)19(28-18(16)13-3-1-4-13)29-9-2-6-21(23,24)7-10-29/h5,8,11-13H,1-4,6-7,9-10H2,(H2,25,31,32)(H,26,27,30)
InChIKeyFHDVCWFHFVMUHZ-UHFFFAOYSA-N
XLogP3.92
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.97
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-cyclobutyl-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-cyclobutyl-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide (CID 146525906) is 5-chloro-6-cyclobutyl-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-cyclobutyl-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-cyclobutyl-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide is NS(=O)(=O)c1cc(NC(=O)c2cc(Cl)c(C3CCC3)nc2N2CCCC(F)(F)CC2)ccn1.
What is the InChIKey of 5-chloro-6-cyclobutyl-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
The InChIKey is FHDVCWFHFVMUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClF2N5O3S/c22-16-12-15(20(30)27-14-5-8-26-17(11-14)33(25,31)32)19(28-18(16)13-3-1-4-13)29-9-2-6-21(23,24)7-10-29/h5,8,11-13H,1-4,6-7,9-10H2,(H2,25,31,32)(H,26,27,30).
What are the key properties of 5-chloro-6-cyclobutyl-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
5-chloro-6-cyclobutyl-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide has a molecular weight of 499.97 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-cyclobutyl-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 146525906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).