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

C15H15N5O3S — CID 9380352

IUPAC2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
SMILESCc1nn(CC(=O)NC(=O)NCc2cccs2)c(=O)c(C#N)c1C
InChIInChI=1S/C15H15N5O3S/c1-9-10(2)19-20(14(22)12(9)6-16)8-13(21)18-15(23)17-7-11-4-3-5-24-11/h3-5H,7-8H2,1-2H3,(H2,17,18,21,23)
InChIKeyPSYKSPGGAUXBAG-UHFFFAOYSA-N
MW345.38 g/mol
LogP0.82
Rot. Bonds4

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

2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide (PubChem CID 9380352) has the molecular formula C15H15N5O3S and a molecular weight of 345.38 g/mol. Its IUPAC name is 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
PubChem CID9380352
Molecular FormulaC15H15N5O3S
Molecular Weight345.38 g/mol
Exact Mass345.09
IUPAC Name2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
SMILESCc1nn(CC(=O)NC(=O)NCc2cccs2)c(=O)c(C#N)c1C
InChIInChI=1S/C15H15N5O3S/c1-9-10(2)19-20(14(22)12(9)6-16)8-13(21)18-15(23)17-7-11-4-3-5-24-11/h3-5H,7-8H2,1-2H3,(H2,17,18,21,23)
InChIKeyPSYKSPGGAUXBAG-UHFFFAOYSA-N
XLogP0.82
TPSA116.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 18128369
2-(benzimidazol-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 122159016
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-(2-propan-2-ylphenyl)acetamide
CID 8537513
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 27265437
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 8537519
2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 20919610
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 9248959
1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
CID 71795211
2-(3-methylquinoxalin-2-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 35502144
ethyl 4-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperazine-1-carboxylate
CID 9431083
5,6-dimethyl-3-oxo-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridazine-4-carbonitrile
CID 9380342

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide (CID 9380352) is 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide is Cc1nn(CC(=O)NC(=O)NCc2cccs2)c(=O)c(C#N)c1C.
What is the InChIKey of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The InChIKey is PSYKSPGGAUXBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S/c1-9-10(2)19-20(14(22)12(9)6-16)8-13(21)18-15(23)17-7-11-4-3-5-24-11/h3-5H,7-8H2,1-2H3,(H2,17,18,21,23).
What are the key properties of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide has a molecular weight of 345.38 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 9380352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).