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

C22H28N4O — CID 109113652

IUPACN-[2-(cyclohexen-1-yl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1ccc(NCCCc2ccccc2)nn1
InChIInChI=1S/C22H28N4O/c27-22(24-17-15-19-10-5-2-6-11-19)20-13-14-21(26-25-20)23-16-7-12-18-8-3-1-4-9-18/h1,3-4,8-10,13-14H,2,5-7,11-12,15-17H2,(H,23,26)(H,24,27)
InChIKeyOJYAKVWUFMGFNY-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.14
Rot. Bonds9

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

N-[2-(cyclohexen-1-yl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide (PubChem CID 109113652) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide
PubChem CID109113652
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1ccc(NCCCc2ccccc2)nn1
InChIInChI=1S/C22H28N4O/c27-22(24-17-15-19-10-5-2-6-11-19)20-13-14-21(26-25-20)23-16-7-12-18-8-3-1-4-9-18/h1,3-4,8-10,13-14H,2,5-7,11-12,15-17H2,(H,23,26)(H,24,27)
InChIKeyOJYAKVWUFMGFNY-UHFFFAOYSA-N
XLogP4.14
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-phenylpropyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109124516
6-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109113526
N-[2-(4-methoxyphenyl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109122514
N-(2-methoxyethyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109113959
6-[2-(cyclohexen-1-yl)ethylamino]-N-methyl-N-phenylpyridazine-3-carboxamide
CID 109113556
6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109152709
6-[2-(cyclohexen-1-yl)ethylamino]-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109364440
6-[2-(cyclohepten-1-yl)ethylamino]pyridazine-3-carboxamide
CID 133477090
N-[2-(cyclohexen-1-yl)ethyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109113677
6-[2-(cyclohexen-1-yl)ethylamino]-N-ethyl-N-phenylpyridazine-3-carboxamide
CID 109113559
6-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide
CID 109113542
N-(2-phenylethyl)-6-(propylamino)pyridazine-3-carboxamide
CID 62167760

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide (CID 109113652) is N-[2-(cyclohexen-1-yl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide is O=C(NCCC1=CCCCC1)c1ccc(NCCCc2ccccc2)nn1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide?
The InChIKey is OJYAKVWUFMGFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c27-22(24-17-15-19-10-5-2-6-11-19)20-13-14-21(26-25-20)23-16-7-12-18-8-3-1-4-9-18/h1,3-4,8-10,13-14H,2,5-7,11-12,15-17H2,(H,23,26)(H,24,27).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.14, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109113652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).