6-(4-acetylanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridazine-3-carboxamide

C21H24N4O2 — CID 109113689

IUPAC6-(4-acetylanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridazine-3-carboxamide
SMILESCC(=O)c1ccc(Nc2ccc(C(=O)NCCC3=CCCCC3)nn2)cc1
InChIInChI=1S/C21H24N4O2/c1-15(26)17-7-9-18(10-8-17)23-20-12-11-19(24-25-20)21(27)22-14-13-16-5-3-2-4-6-16/h5,7-12H,2-4,6,13-14H2,1H3,(H,22,27)(H,23,25)
InChIKeySVLIBGQEDFCKSE-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.04
Rot. Bonds7

About 6-(4-acetylanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridazine-3-carboxamide

6-(4-acetylanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridazine-3-carboxamide (PubChem CID 109113689) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-(4-acetylanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-acetylanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridazine-3-carboxamide
PubChem CID109113689
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name6-(4-acetylanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridazine-3-carboxamide
SMILESCC(=O)c1ccc(Nc2ccc(C(=O)NCCC3=CCCCC3)nn2)cc1
InChIInChI=1S/C21H24N4O2/c1-15(26)17-7-9-18(10-8-17)23-20-12-11-19(24-25-20)21(27)22-14-13-16-5-3-2-4-6-16/h5,7-12H,2-4,6,13-14H2,1H3,(H,22,27)(H,23,25)
InChIKeySVLIBGQEDFCKSE-UHFFFAOYSA-N
XLogP4.04
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.04
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-[2-(cyclohexen-1-yl)ethyl]-6-(4-pyrrolidin-1-ylanilino)pyridazine-3-carboxamide
CID 109113696
6-(4-acetylanilino)-N-propylpyridazine-3-carboxamide
CID 109109344
4-N-(4-acetylphenyl)-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide
CID 109045058
N-[2-(cyclohexen-1-yl)ethyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109113677
5-(3-acetylanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide
CID 109183683
4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 27666318
N-[2-(cyclohexen-1-yl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109113652
6-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109113526
6-(4-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129827
1-[4-[[4-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]ethanone
CID 112885491
methyl 4-[[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-pyridinyl]amino]benzoate
CID 109166628
N-(4-acetylphenyl)-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide
CID 108959402

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(4-acetylanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridazine-3-carboxamide (CID 109113689) is 6-(4-acetylanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-acetylanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(4-acetylanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridazine-3-carboxamide is CC(=O)c1ccc(Nc2ccc(C(=O)NCCC3=CCCCC3)nn2)cc1.
What is the InChIKey of 6-(4-acetylanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridazine-3-carboxamide?
The InChIKey is SVLIBGQEDFCKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15(26)17-7-9-18(10-8-17)23-20-12-11-19(24-25-20)21(27)22-14-13-16-5-3-2-4-6-16/h5,7-12H,2-4,6,13-14H2,1H3,(H,22,27)(H,23,25).
What are the key properties of 6-(4-acetylanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridazine-3-carboxamide?
6-(4-acetylanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridazine-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109113689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).