N-[2-(cyclohexen-1-yl)ethyl]-6-(N-ethylanilino)pyridazine-3-carboxamide

C21H26N4O — CID 109113669

IUPACN-[2-(cyclohexen-1-yl)ethyl]-6-(N-ethylanilino)pyridazine-3-carboxamide
SMILESCCN(c1ccccc1)c1ccc(C(=O)NCCC2=CCCCC2)nn1
InChIInChI=1S/C21H26N4O/c1-2-25(18-11-7-4-8-12-18)20-14-13-19(23-24-20)21(26)22-16-15-17-9-5-3-6-10-17/h4,7-9,11-14H,2-3,5-6,10,15-16H2,1H3,(H,22,26)
InChIKeyRUWFLJZMTDAQIX-UHFFFAOYSA-N
MW350.47 g/mol
LogP4.25
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-6-(N-ethylanilino)pyridazine-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-6-(N-ethylanilino)pyridazine-3-carboxamide (PubChem CID 109113669) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-6-(N-ethylanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-6-(N-ethylanilino)pyridazine-3-carboxamide
PubChem CID109113669
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-6-(N-ethylanilino)pyridazine-3-carboxamide
SMILESCCN(c1ccccc1)c1ccc(C(=O)NCCC2=CCCCC2)nn1
InChIInChI=1S/C21H26N4O/c1-2-25(18-11-7-4-8-12-18)20-14-13-19(23-24-20)21(26)22-16-15-17-9-5-3-6-10-17/h4,7-9,11-14H,2-3,5-6,10,15-16H2,1H3,(H,22,26)
InChIKeyRUWFLJZMTDAQIX-UHFFFAOYSA-N
XLogP4.25
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(N-ethylanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109115714
6-[2-(cyclohexen-1-yl)ethylamino]-N-ethyl-N-phenylpyridazine-3-carboxamide
CID 109113559
N-[2-(cyclohexen-1-yl)ethyl]-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109113643
N-[2-(cyclohexen-1-yl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109113652
6-[2-(cyclohexen-1-yl)ethylamino]-N-methyl-N-phenylpyridazine-3-carboxamide
CID 109113556
2-[benzyl(ethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109323397
N-[2-(cyclohexen-1-yl)ethyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109113677
N-[2-(cyclohexen-1-yl)ethyl]-3-(N-ethylanilino)propanamide
CID 109014714
6-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109113526
2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-phenylpyridine-2,6-dicarboxamide
CID 109095600
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108972578
6-(4-acetylanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridazine-3-carboxamide
CID 109113689

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-6-(N-ethylanilino)pyridazine-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-6-(N-ethylanilino)pyridazine-3-carboxamide (CID 109113669) is N-[2-(cyclohexen-1-yl)ethyl]-6-(N-ethylanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-6-(N-ethylanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-6-(N-ethylanilino)pyridazine-3-carboxamide is CCN(c1ccccc1)c1ccc(C(=O)NCCC2=CCCCC2)nn1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-6-(N-ethylanilino)pyridazine-3-carboxamide?
The InChIKey is RUWFLJZMTDAQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-2-25(18-11-7-4-8-12-18)20-14-13-19(23-24-20)21(26)22-16-15-17-9-5-3-6-10-17/h4,7-9,11-14H,2-3,5-6,10,15-16H2,1H3,(H,22,26).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-6-(N-ethylanilino)pyridazine-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-6-(N-ethylanilino)pyridazine-3-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-6-(N-ethylanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109113669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).