6-[2-(cyclohexen-1-yl)ethylamino]-N-ethyl-N-phenylpyridazine-3-carboxamide

C21H26N4O — CID 109113559

IUPAC6-[2-(cyclohexen-1-yl)ethylamino]-N-ethyl-N-phenylpyridazine-3-carboxamide
SMILESCCN(C(=O)c1ccc(NCCC2=CCCCC2)nn1)c1ccccc1
InChIInChI=1S/C21H26N4O/c1-2-25(18-11-7-4-8-12-18)21(26)19-13-14-20(24-23-19)22-16-15-17-9-5-3-6-10-17/h4,7-9,11-14H,2-3,5-6,10,15-16H2,1H3,(H,22,24)
InChIKeyKPZXVJZRGWVEKJ-UHFFFAOYSA-N
MW350.47 g/mol
LogP4.45
Rot. Bonds7

About 6-[2-(cyclohexen-1-yl)ethylamino]-N-ethyl-N-phenylpyridazine-3-carboxamide

6-[2-(cyclohexen-1-yl)ethylamino]-N-ethyl-N-phenylpyridazine-3-carboxamide (PubChem CID 109113559) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 6-[2-(cyclohexen-1-yl)ethylamino]-N-ethyl-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(cyclohexen-1-yl)ethylamino]-N-ethyl-N-phenylpyridazine-3-carboxamide
PubChem CID109113559
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name6-[2-(cyclohexen-1-yl)ethylamino]-N-ethyl-N-phenylpyridazine-3-carboxamide
SMILESCCN(C(=O)c1ccc(NCCC2=CCCCC2)nn1)c1ccccc1
InChIInChI=1S/C21H26N4O/c1-2-25(18-11-7-4-8-12-18)21(26)19-13-14-20(24-23-19)22-16-15-17-9-5-3-6-10-17/h4,7-9,11-14H,2-3,5-6,10,15-16H2,1H3,(H,22,24)
InChIKeyKPZXVJZRGWVEKJ-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
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-[2-(cyclohexen-1-yl)ethylamino]-N-methyl-N-phenylpyridazine-3-carboxamide
CID 109113556
6-[2-(cyclohexen-1-yl)ethylamino]-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109364480
6-[2-(cyclohexen-1-yl)ethylamino]-N-[4-(diethylamino)phenyl]pyridazine-3-carboxamide
CID 109113587
N-ethyl-6-[2-(2-fluorophenyl)ethylamino]-N-phenylpyridazine-3-carboxamide
CID 109121948
6-[2-(cyclohepten-1-yl)ethylamino]pyridazine-3-carboxamide
CID 133477090
N-[2-(cyclohexen-1-yl)ethyl]-6-(N-ethylanilino)pyridazine-3-carboxamide
CID 109113669
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
N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]butanamide
CID 113039305
6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyphenyl)pyridazine-3-carboxamide
CID 109113568
6-[(4-chlorophenyl)methylamino]-N-ethyl-N-phenylpyridazine-3-carboxamide
CID 109119843
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109132824

Frequently Asked Questions

What is the IUPAC name of 6-[2-(cyclohexen-1-yl)ethylamino]-N-ethyl-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-[2-(cyclohexen-1-yl)ethylamino]-N-ethyl-N-phenylpyridazine-3-carboxamide (CID 109113559) is 6-[2-(cyclohexen-1-yl)ethylamino]-N-ethyl-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[2-(cyclohexen-1-yl)ethylamino]-N-ethyl-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-[2-(cyclohexen-1-yl)ethylamino]-N-ethyl-N-phenylpyridazine-3-carboxamide is CCN(C(=O)c1ccc(NCCC2=CCCCC2)nn1)c1ccccc1.
What is the InChIKey of 6-[2-(cyclohexen-1-yl)ethylamino]-N-ethyl-N-phenylpyridazine-3-carboxamide?
The InChIKey is KPZXVJZRGWVEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-2-25(18-11-7-4-8-12-18)21(26)19-13-14-20(24-23-19)22-16-15-17-9-5-3-6-10-17/h4,7-9,11-14H,2-3,5-6,10,15-16H2,1H3,(H,22,24).
What are the key properties of 6-[2-(cyclohexen-1-yl)ethylamino]-N-ethyl-N-phenylpyridazine-3-carboxamide?
6-[2-(cyclohexen-1-yl)ethylamino]-N-ethyl-N-phenylpyridazine-3-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(cyclohexen-1-yl)ethylamino]-N-ethyl-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 109113559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).