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

C16H24N4O — CID 113039305

IUPACN-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]butanamide
SMILESCCCC(=O)Nc1ccc(NCCC2=CCCCC2)nn1
InChIInChI=1S/C16H24N4O/c1-2-6-16(21)18-15-10-9-14(19-20-15)17-12-11-13-7-4-3-5-8-13/h7,9-10H,2-6,8,11-12H2,1H3,(H,17,19)(H,18,20,21)
InChIKeyPDLCKFRLONJRRE-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.52
Rot. Bonds7

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

N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]butanamide (PubChem CID 113039305) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]butanamide.

Molecular Properties

Compound NameN-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]butanamide
PubChem CID113039305
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]butanamide
SMILESCCCC(=O)Nc1ccc(NCCC2=CCCCC2)nn1
InChIInChI=1S/C16H24N4O/c1-2-6-16(21)18-15-10-9-14(19-20-15)17-12-11-13-7-4-3-5-8-13/h7,9-10H,2-6,8,11-12H2,1H3,(H,17,19)(H,18,20,21)
InChIKeyPDLCKFRLONJRRE-UHFFFAOYSA-N
XLogP3.52
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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]-3-phenoxypropanamide
CID 113039338
6-[2-(cyclohepten-1-yl)ethylamino]pyridazine-3-carboxamide
CID 133477090
N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113039330
1-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3-cyclohexylurea
CID 113039355
N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide
CID 113039326
N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]thiophene-2-carboxamide
CID 113039315
6-[2-(cyclohexen-1-yl)ethylamino]-N-[4-(diethylamino)phenyl]pyridazine-3-carboxamide
CID 109113587
6-[2-(cyclohexen-1-yl)ethylamino]-N-methyl-N-phenylpyridazine-3-carboxamide
CID 109113556
6-[2-(cyclohexen-1-yl)ethylamino]-N-ethyl-N-phenylpyridazine-3-carboxamide
CID 109113559
N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 113039369
6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyphenyl)pyridazine-3-carboxamide
CID 109113568
N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2-ethylbutanamide
CID 113010230

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]butanamide?
The IUPAC name of N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]butanamide (CID 113039305) is N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]butanamide.
What is the SMILES notation for N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]butanamide?
The canonical SMILES for N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]butanamide is CCCC(=O)Nc1ccc(NCCC2=CCCCC2)nn1.
What is the InChIKey of N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]butanamide?
The InChIKey is PDLCKFRLONJRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-2-6-16(21)18-15-10-9-14(19-20-15)17-12-11-13-7-4-3-5-8-13/h7,9-10H,2-6,8,11-12H2,1H3,(H,17,19)(H,18,20,21).
What are the key properties of N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]butanamide?
N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]butanamide has a molecular weight of 288.39 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]butanamide is sourced from PubChem (CID 113039305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).