2-(4-chloro-5-cyano-6-oxopyridazin-1-yl)-N-[4-methyl-3-[2-(2,3,4,5-tetrahydropyridin-2-yl)ethylsulfamoyl]phenyl]acetamide

C21H23ClN6O4S — CID 162728146

IUPAC2-(4-chloro-5-cyano-6-oxopyridazin-1-yl)-N-[4-methyl-3-[2-(2,3,4,5-tetrahydropyridin-2-yl)ethylsulfamoyl]phenyl]acetamide
SMILESCc1ccc(NC(=O)Cn2ncc(Cl)c(C#N)c2=O)cc1S(=O)(=O)NCCC1CCCC=N1
InChIInChI=1S/C21H23ClN6O4S/c1-14-5-6-16(27-20(29)13-28-21(30)17(11-23)18(22)12-25-28)10-19(14)33(31,32)26-9-7-15-4-2-3-8-24-15/h5-6,8,10,12,15,26H,2-4,7,9,13H2,1H3,(H,27,29)
InChIKeyQNDQUHZZDTVNII-UHFFFAOYSA-N
MW490.97 g/mol
LogP2.01
Rot. Bonds8

About 2-(4-chloro-5-cyano-6-oxopyridazin-1-yl)-N-[4-methyl-3-[2-(2,3,4,5-tetrahydropyridin-2-yl)ethylsulfamoyl]phenyl]acetamide

2-(4-chloro-5-cyano-6-oxopyridazin-1-yl)-N-[4-methyl-3-[2-(2,3,4,5-tetrahydropyridin-2-yl)ethylsulfamoyl]phenyl]acetamide (PubChem CID 162728146) has the molecular formula C21H23ClN6O4S and a molecular weight of 490.97 g/mol. Its IUPAC name is 2-(4-chloro-5-cyano-6-oxopyridazin-1-yl)-N-[4-methyl-3-[2-(2,3,4,5-tetrahydropyridin-2-yl)ethylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-5-cyano-6-oxopyridazin-1-yl)-N-[4-methyl-3-[2-(2,3,4,5-tetrahydropyridin-2-yl)ethylsulfamoyl]phenyl]acetamide
PubChem CID162728146
Molecular FormulaC21H23ClN6O4S
Molecular Weight490.97 g/mol
Exact Mass490.12
IUPAC Name2-(4-chloro-5-cyano-6-oxopyridazin-1-yl)-N-[4-methyl-3-[2-(2,3,4,5-tetrahydropyridin-2-yl)ethylsulfamoyl]phenyl]acetamide
SMILESCc1ccc(NC(=O)Cn2ncc(Cl)c(C#N)c2=O)cc1S(=O)(=O)NCCC1CCCC=N1
InChIInChI=1S/C21H23ClN6O4S/c1-14-5-6-16(27-20(29)13-28-21(30)17(11-23)18(22)12-25-28)10-19(14)33(31,32)26-9-7-15-4-2-3-8-24-15/h5-6,8,10,12,15,26H,2-4,7,9,13H2,1H3,(H,27,29)
InChIKeyQNDQUHZZDTVNII-UHFFFAOYSA-N
XLogP2.01
TPSA146.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.97
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-cyano-6-oxopyridazin-1-yl)-N-[4-methyl-3-[2-(2,3,4,5-tetrahydropyridin-2-yl)ethylsulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(4-chloro-5-cyano-6-oxopyridazin-1-yl)-N-[4-methyl-3-[2-(2,3,4,5-tetrahydropyridin-2-yl)ethylsulfamoyl]phenyl]acetamide (CID 162728146) is 2-(4-chloro-5-cyano-6-oxopyridazin-1-yl)-N-[4-methyl-3-[2-(2,3,4,5-tetrahydropyridin-2-yl)ethylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-5-cyano-6-oxopyridazin-1-yl)-N-[4-methyl-3-[2-(2,3,4,5-tetrahydropyridin-2-yl)ethylsulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(4-chloro-5-cyano-6-oxopyridazin-1-yl)-N-[4-methyl-3-[2-(2,3,4,5-tetrahydropyridin-2-yl)ethylsulfamoyl]phenyl]acetamide is Cc1ccc(NC(=O)Cn2ncc(Cl)c(C#N)c2=O)cc1S(=O)(=O)NCCC1CCCC=N1.
What is the InChIKey of 2-(4-chloro-5-cyano-6-oxopyridazin-1-yl)-N-[4-methyl-3-[2-(2,3,4,5-tetrahydropyridin-2-yl)ethylsulfamoyl]phenyl]acetamide?
The InChIKey is QNDQUHZZDTVNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN6O4S/c1-14-5-6-16(27-20(29)13-28-21(30)17(11-23)18(22)12-25-28)10-19(14)33(31,32)26-9-7-15-4-2-3-8-24-15/h5-6,8,10,12,15,26H,2-4,7,9,13H2,1H3,(H,27,29).
What are the key properties of 2-(4-chloro-5-cyano-6-oxopyridazin-1-yl)-N-[4-methyl-3-[2-(2,3,4,5-tetrahydropyridin-2-yl)ethylsulfamoyl]phenyl]acetamide?
2-(4-chloro-5-cyano-6-oxopyridazin-1-yl)-N-[4-methyl-3-[2-(2,3,4,5-tetrahydropyridin-2-yl)ethylsulfamoyl]phenyl]acetamide has a molecular weight of 490.97 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-cyano-6-oxopyridazin-1-yl)-N-[4-methyl-3-[2-(2,3,4,5-tetrahydropyridin-2-yl)ethylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 162728146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).