2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,5-dichlorophenyl)acetamide

C15H12Cl2N4O2 — CID 8537439

IUPAC2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,5-dichlorophenyl)acetamide
SMILESCc1nn(CC(=O)Nc2cc(Cl)ccc2Cl)c(=O)c(C#N)c1C
InChIInChI=1S/C15H12Cl2N4O2/c1-8-9(2)20-21(15(23)11(8)6-18)7-14(22)19-13-5-10(16)3-4-12(13)17/h3-5H,7H2,1-2H3,(H,19,22)
InChIKeyLYBPJWPGAZSECP-UHFFFAOYSA-N
MW351.19 g/mol
LogP2.68
Rot. Bonds3

About 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,5-dichlorophenyl)acetamide

2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,5-dichlorophenyl)acetamide (PubChem CID 8537439) has the molecular formula C15H12Cl2N4O2 and a molecular weight of 351.19 g/mol. Its IUPAC name is 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,5-dichlorophenyl)acetamide
PubChem CID8537439
Molecular FormulaC15H12Cl2N4O2
Molecular Weight351.19 g/mol
Exact Mass350.03
IUPAC Name2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,5-dichlorophenyl)acetamide
SMILESCc1nn(CC(=O)Nc2cc(Cl)ccc2Cl)c(=O)c(C#N)c1C
InChIInChI=1S/C15H12Cl2N4O2/c1-8-9(2)20-21(15(23)11(8)6-18)7-14(22)19-13-5-10(16)3-4-12(13)17/h3-5H,7H2,1-2H3,(H,19,22)
InChIKeyLYBPJWPGAZSECP-UHFFFAOYSA-N
XLogP2.68
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 8537519
N-(2-chloro-4,6-dimethylphenyl)-2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetamide
CID 8538150
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 8537513
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-methylsulfonylphenyl)acetamide
CID 9309209
dimethyl 2-[[2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]benzene-1,4-dicarboxylate
CID 8537509
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetamide
CID 8894663
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 18272367
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide
CID 38979073
2-[[2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]-N-cyclopentylbenzamide
CID 24585036
N-(5-amino-2-chlorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 61226125
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 24630123
2-(3-cyano-1,2,4-triazol-4-yl)-N-(2,5-dichlorophenyl)acetamide
CID 47120496

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,5-dichlorophenyl)acetamide?
The IUPAC name of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,5-dichlorophenyl)acetamide (CID 8537439) is 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,5-dichlorophenyl)acetamide is Cc1nn(CC(=O)Nc2cc(Cl)ccc2Cl)c(=O)c(C#N)c1C.
What is the InChIKey of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,5-dichlorophenyl)acetamide?
The InChIKey is LYBPJWPGAZSECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4O2/c1-8-9(2)20-21(15(23)11(8)6-18)7-14(22)19-13-5-10(16)3-4-12(13)17/h3-5H,7H2,1-2H3,(H,19,22).
What are the key properties of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,5-dichlorophenyl)acetamide?
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,5-dichlorophenyl)acetamide has a molecular weight of 351.19 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,5-dichlorophenyl)acetamide is sourced from PubChem (CID 8537439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).