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

C17H18N4O2 — CID 8537519

IUPAC2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)Cn2nc(C)c(C)c(C#N)c2=O)c1
InChIInChI=1S/C17H18N4O2/c1-10-5-6-11(2)15(7-10)19-16(22)9-21-17(23)14(8-18)12(3)13(4)20-21/h5-7H,9H2,1-4H3,(H,19,22)
InChIKeyNTWZGTPEDLHMES-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.99
Rot. Bonds3

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

2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,5-dimethylphenyl)acetamide (PubChem CID 8537519) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,5-dimethylphenyl)acetamide
PubChem CID8537519
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)Cn2nc(C)c(C)c(C#N)c2=O)c1
InChIInChI=1S/C17H18N4O2/c1-10-5-6-11(2)15(7-10)19-16(22)9-21-17(23)14(8-18)12(3)13(4)20-21/h5-7H,9H2,1-4H3,(H,19,22)
InChIKeyNTWZGTPEDLHMES-UHFFFAOYSA-N
XLogP1.99
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.99
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-dichlorophenyl)acetamide
CID 8537439
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 18272367
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
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide
CID 38979073
dimethyl 2-[[2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]benzene-1,4-dicarboxylate
CID 8537509
2-[2-(3,4-dimethylphenyl)-2-oxoethyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile
CID 9380332
2-[[2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]-N-cyclopentylbenzamide
CID 24585036
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-phenylpropyl)acetamide
CID 18202883
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 24630123

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,5-dimethylphenyl)acetamide (CID 8537519) is 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(NC(=O)Cn2nc(C)c(C)c(C#N)c2=O)c1.
What is the InChIKey of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is NTWZGTPEDLHMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-10-5-6-11(2)15(7-10)19-16(22)9-21-17(23)14(8-18)12(3)13(4)20-21/h5-7H,9H2,1-4H3,(H,19,22).
What are the key properties of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,5-dimethylphenyl)acetamide?
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 310.36 g/mol, XLogP of 1.99, 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-dimethylphenyl)acetamide is sourced from PubChem (CID 8537519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).