2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(cyclohexylmethyl)acetamide

C17H22N4O2S — CID 46960788

IUPAC2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(cyclohexylmethyl)acetamide
SMILESNc1cc(-c2cccs2)nn(CC(=O)NCC2CCCCC2)c1=O
InChIInChI=1S/C17H22N4O2S/c18-13-9-14(15-7-4-8-24-15)20-21(17(13)23)11-16(22)19-10-12-5-2-1-3-6-12/h4,7-9,12H,1-3,5-6,10-11,18H2,(H,19,22)
InChIKeyJRSFSXNYLIOMKY-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.25
Rot. Bonds5

About 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(cyclohexylmethyl)acetamide

2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(cyclohexylmethyl)acetamide (PubChem CID 46960788) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(cyclohexylmethyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(cyclohexylmethyl)acetamide
PubChem CID46960788
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(cyclohexylmethyl)acetamide
SMILESNc1cc(-c2cccs2)nn(CC(=O)NCC2CCCCC2)c1=O
InChIInChI=1S/C17H22N4O2S/c18-13-9-14(15-7-4-8-24-15)20-21(17(13)23)11-16(22)19-10-12-5-2-1-3-6-12/h4,7-9,12H,1-3,5-6,10-11,18H2,(H,19,22)
InChIKeyJRSFSXNYLIOMKY-UHFFFAOYSA-N
XLogP2.25
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(cyclohexylmethyl)acetamide?
The IUPAC name of 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(cyclohexylmethyl)acetamide (CID 46960788) is 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(cyclohexylmethyl)acetamide.
What is the SMILES notation for 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(cyclohexylmethyl)acetamide?
The canonical SMILES for 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(cyclohexylmethyl)acetamide is Nc1cc(-c2cccs2)nn(CC(=O)NCC2CCCCC2)c1=O.
What is the InChIKey of 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(cyclohexylmethyl)acetamide?
The InChIKey is JRSFSXNYLIOMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c18-13-9-14(15-7-4-8-24-15)20-21(17(13)23)11-16(22)19-10-12-5-2-1-3-6-12/h4,7-9,12H,1-3,5-6,10-11,18H2,(H,19,22).
What are the key properties of 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(cyclohexylmethyl)acetamide?
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(cyclohexylmethyl)acetamide has a molecular weight of 346.46 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(cyclohexylmethyl)acetamide is sourced from PubChem (CID 46960788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).