N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-2-thiophen-2-ylacetamide

C18H22N4OS — CID 113039330

IUPACN-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(NCCC2=CCCCC2)nn1
InChIInChI=1S/C18H22N4OS/c23-18(13-15-7-4-12-24-15)20-17-9-8-16(21-22-17)19-11-10-14-5-2-1-3-6-14/h4-5,7-9,12H,1-3,6,10-11,13H2,(H,19,21)(H,20,22,23)
InChIKeyFIHMRJISAQUQII-UHFFFAOYSA-N
MW342.47 g/mol
LogP4.02
Rot. Bonds7

About N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-2-thiophen-2-ylacetamide

N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-2-thiophen-2-ylacetamide (PubChem CID 113039330) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-2-thiophen-2-ylacetamide
PubChem CID113039330
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC NameN-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(NCCC2=CCCCC2)nn1
InChIInChI=1S/C18H22N4OS/c23-18(13-15-7-4-12-24-15)20-17-9-8-16(21-22-17)19-11-10-14-5-2-1-3-6-14/h4-5,7-9,12H,1-3,6,10-11,13H2,(H,19,21)(H,20,22,23)
InChIKeyFIHMRJISAQUQII-UHFFFAOYSA-N
XLogP4.02
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]thiophene-2-carboxamide
CID 113039315
N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]butanamide
CID 113039305
6-[2-(cyclohepten-1-yl)ethylamino]pyridazine-3-carboxamide
CID 133477090
N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3-phenoxypropanamide
CID 113039338
N-[6-(prop-2-enylamino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113038208
1-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3-cyclohexylurea
CID 113039355
2-(cyclohexen-1-yl)-N-(2-thiophen-2-ylethyl)ethanamine
CID 63773625
N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide
CID 113039326
6-(2-thiophen-2-ylethylamino)pyridazine-3-carboxamide
CID 79006069
6-[2-(cyclohexen-1-yl)ethylamino]-N-methyl-N-phenylpyridazine-3-carboxamide
CID 109113556
6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyphenyl)pyridazine-3-carboxamide
CID 109113568
6-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109113526

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-2-thiophen-2-ylacetamide (CID 113039330) is N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1ccc(NCCC2=CCCCC2)nn1.
What is the InChIKey of N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-2-thiophen-2-ylacetamide?
The InChIKey is FIHMRJISAQUQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c23-18(13-15-7-4-12-24-15)20-17-9-8-16(21-22-17)19-11-10-14-5-2-1-3-6-14/h4-5,7-9,12H,1-3,6,10-11,13H2,(H,19,21)(H,20,22,23).
What are the key properties of N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-2-thiophen-2-ylacetamide?
N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-2-thiophen-2-ylacetamide has a molecular weight of 342.47 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 113039330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).