2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide

C17H22N4O2 — CID 17494226

IUPAC2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESCc1nn(CC(=O)NCCC2=CCCCC2)c(=O)c(C#N)c1C
InChIInChI=1S/C17H22N4O2/c1-12-13(2)20-21(17(23)15(12)10-18)11-16(22)19-9-8-14-6-4-3-5-7-14/h6H,3-5,7-9,11H2,1-2H3,(H,19,22)
InChIKeyBFXWQKIHZMPHGX-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.74
Rot. Bonds5

About 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide

2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide (PubChem CID 17494226) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
PubChem CID17494226
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESCc1nn(CC(=O)NCCC2=CCCCC2)c(=O)c(C#N)c1C
InChIInChI=1S/C17H22N4O2/c1-12-13(2)20-21(17(23)15(12)10-18)11-16(22)19-9-8-14-6-4-3-5-7-14/h6H,3-5,7-9,11H2,1-2H3,(H,19,22)
InChIKeyBFXWQKIHZMPHGX-UHFFFAOYSA-N
XLogP1.74
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The IUPAC name of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide (CID 17494226) is 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide is Cc1nn(CC(=O)NCCC2=CCCCC2)c(=O)c(C#N)c1C.
What is the InChIKey of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The InChIKey is BFXWQKIHZMPHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-13(2)20-21(17(23)15(12)10-18)11-16(22)19-9-8-14-6-4-3-5-7-14/h6H,3-5,7-9,11H2,1-2H3,(H,19,22).
What are the key properties of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide has a molecular weight of 314.39 g/mol, XLogP of 1.74, 5 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-(cyclohexen-1-yl)ethyl]acetamide is sourced from PubChem (CID 17494226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).