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

C20H22ClF2N5O3S — CID 146525693

IUPAC5-chloro-6-cyclopropyl-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
SMILESNS(=O)(=O)c1cc(NC(=O)c2cc(Cl)c(C3CC3)nc2N2CCCC(F)(F)CC2)ccn1
InChIInChI=1S/C20H22ClF2N5O3S/c21-15-11-14(19(29)26-13-4-7-25-16(10-13)32(24,30)31)18(27-17(15)12-2-3-12)28-8-1-5-20(22,23)6-9-28/h4,7,10-12H,1-3,5-6,8-9H2,(H2,24,30,31)(H,25,26,29)
InChIKeyDVOGNPUSMDKLLD-UHFFFAOYSA-N
MW485.94 g/mol
LogP3.53
Rot. Bonds5

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

5-chloro-6-cyclopropyl-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide (PubChem CID 146525693) has the molecular formula C20H22ClF2N5O3S and a molecular weight of 485.94 g/mol. Its IUPAC name is 5-chloro-6-cyclopropyl-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-cyclopropyl-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
PubChem CID146525693
Molecular FormulaC20H22ClF2N5O3S
Molecular Weight485.94 g/mol
Exact Mass485.11
IUPAC Name5-chloro-6-cyclopropyl-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
SMILESNS(=O)(=O)c1cc(NC(=O)c2cc(Cl)c(C3CC3)nc2N2CCCC(F)(F)CC2)ccn1
InChIInChI=1S/C20H22ClF2N5O3S/c21-15-11-14(19(29)26-13-4-7-25-16(10-13)32(24,30)31)18(27-17(15)12-2-3-12)28-8-1-5-20(22,23)6-9-28/h4,7,10-12H,1-3,5-6,8-9H2,(H2,24,30,31)(H,25,26,29)
InChIKeyDVOGNPUSMDKLLD-UHFFFAOYSA-N
XLogP3.53
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.94
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-cyclopropyl-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-cyclopropyl-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide (CID 146525693) is 5-chloro-6-cyclopropyl-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-cyclopropyl-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-cyclopropyl-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide is NS(=O)(=O)c1cc(NC(=O)c2cc(Cl)c(C3CC3)nc2N2CCCC(F)(F)CC2)ccn1.
What is the InChIKey of 5-chloro-6-cyclopropyl-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
The InChIKey is DVOGNPUSMDKLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClF2N5O3S/c21-15-11-14(19(29)26-13-4-7-25-16(10-13)32(24,30)31)18(27-17(15)12-2-3-12)28-8-1-5-20(22,23)6-9-28/h4,7,10-12H,1-3,5-6,8-9H2,(H2,24,30,31)(H,25,26,29).
What are the key properties of 5-chloro-6-cyclopropyl-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
5-chloro-6-cyclopropyl-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide has a molecular weight of 485.94 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-cyclopropyl-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 146525693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).