2-[5-(aminomethyl)-4-chloro-6-oxopyridazin-1-yl]-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide

C21H23ClN6O4S — CID 162727394

IUPAC2-[5-(aminomethyl)-4-chloro-6-oxopyridazin-1-yl]-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide
SMILESCc1ccc(NC(=O)Cn2ncc(Cl)c(CN)c2=O)cc1S(=O)(=O)NCCc1ccccn1
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/h2-6,8,10,12,26H,7,9,11,13,23H2,1H3,(H,27,29)
InChIKeyDFGUFLYZNAEROP-UHFFFAOYSA-N
MW490.97 g/mol
LogP1.22
Rot. Bonds9

About 2-[5-(aminomethyl)-4-chloro-6-oxopyridazin-1-yl]-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide

2-[5-(aminomethyl)-4-chloro-6-oxopyridazin-1-yl]-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide (PubChem CID 162727394) has the molecular formula C21H23ClN6O4S and a molecular weight of 490.97 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-4-chloro-6-oxopyridazin-1-yl]-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[5-(aminomethyl)-4-chloro-6-oxopyridazin-1-yl]-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide
PubChem CID162727394
Molecular FormulaC21H23ClN6O4S
Molecular Weight490.97 g/mol
Exact Mass490.12
IUPAC Name2-[5-(aminomethyl)-4-chloro-6-oxopyridazin-1-yl]-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide
SMILESCc1ccc(NC(=O)Cn2ncc(Cl)c(CN)c2=O)cc1S(=O)(=O)NCCc1ccccn1
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/h2-6,8,10,12,26H,7,9,11,13,23H2,1H3,(H,27,29)
InChIKeyDFGUFLYZNAEROP-UHFFFAOYSA-N
XLogP1.22
TPSA149.07 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.97
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-(aminomethyl)-4-chloro-6-oxopyridazin-1-yl]-N-[3-(2-pyridin-2-ylethylsulfamoyl)-4-(trifluoromethyl)phenyl]acetamide
CID 162727195
2-(4-chloro-5-cyclopropyl-6-oxopyridazin-1-yl)-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide
CID 162727733
2-(3,4-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide
CID 162727449
N-[3-[(5-chloro-2-pyridinyl)methylsulfamoyl]-4-methylphenyl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 162728053
2-(4-chloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(3-pyridin-2-ylpropylsulfonyl)phenyl]acetamide
CID 162727152
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9492234
2-(5-chloro-6-oxopyridazin-1-yl)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 155804497
(2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-ethyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]propanamide
CID 162727151
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-pyridin-2-ylpropanamide
CID 60599784
5-[5-[(4,5-dichloro-6-oxopyridazin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 162727559
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
1-[5-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-2-methylphenyl]sulfonylazetidine-3-carboxamide
CID 162727569

Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-4-chloro-6-oxopyridazin-1-yl]-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[5-(aminomethyl)-4-chloro-6-oxopyridazin-1-yl]-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide (CID 162727394) is 2-[5-(aminomethyl)-4-chloro-6-oxopyridazin-1-yl]-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[5-(aminomethyl)-4-chloro-6-oxopyridazin-1-yl]-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[5-(aminomethyl)-4-chloro-6-oxopyridazin-1-yl]-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide is Cc1ccc(NC(=O)Cn2ncc(Cl)c(CN)c2=O)cc1S(=O)(=O)NCCc1ccccn1.
What is the InChIKey of 2-[5-(aminomethyl)-4-chloro-6-oxopyridazin-1-yl]-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide?
The InChIKey is DFGUFLYZNAEROP-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/h2-6,8,10,12,26H,7,9,11,13,23H2,1H3,(H,27,29).
What are the key properties of 2-[5-(aminomethyl)-4-chloro-6-oxopyridazin-1-yl]-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide?
2-[5-(aminomethyl)-4-chloro-6-oxopyridazin-1-yl]-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide has a molecular weight of 490.97 g/mol, XLogP of 1.22, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-4-chloro-6-oxopyridazin-1-yl]-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 162727394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).