N-[2-(cyclohexen-1-yl)ethyl]-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide

C23H28N4O — CID 46375075

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
SMILESO=C(NCCC1=CCCCC1)c1cccc(-c2ccc(N3CCCC3)nn2)c1
InChIInChI=1S/C23H28N4O/c28-23(24-14-13-18-7-2-1-3-8-18)20-10-6-9-19(17-20)21-11-12-22(26-25-21)27-15-4-5-16-27/h6-7,9-12,17H,1-5,8,13-16H2,(H,24,28)
InChIKeyHDPWWPWVBUBQBB-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.36
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide

N-[2-(cyclohexen-1-yl)ethyl]-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide (PubChem CID 46375075) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
PubChem CID46375075
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
SMILESO=C(NCCC1=CCCCC1)c1cccc(-c2ccc(N3CCCC3)nn2)c1
InChIInChI=1S/C23H28N4O/c28-23(24-14-13-18-7-2-1-3-8-18)20-10-6-9-19(17-20)21-11-12-22(26-25-21)27-15-4-5-16-27/h6-7,9-12,17H,1-5,8,13-16H2,(H,24,28)
InChIKeyHDPWWPWVBUBQBB-UHFFFAOYSA-N
XLogP4.36
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.36
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

N-[2-(cyclohexen-1-yl)ethyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide
CID 46375087
N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025322
(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055908
N-[2-(cyclohexen-1-yl)ethyl]-3-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide
CID 46387080
N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 51691216
N-[2-(cyclohexen-1-yl)ethyl]-3-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]benzamide
CID 46322394
N-[2-(cyclohexen-1-yl)ethyl]-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109113643
molecular hydrogen;N-(2-pyrazol-1-ylethyl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide;3-(6-pyrrolidin-1-ylpyridazin-3-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 156745316
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109052413
3-(6-morpholin-4-ylpyridazin-3-yl)-N-(3-phenylpropyl)benzamide
CID 50816070
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
CID 109052412
3-(6-morpholin-4-ylpyridazin-3-yl)-N-pentylbenzamide
CID 50816215

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide (CID 46375075) is N-[2-(cyclohexen-1-yl)ethyl]-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide is O=C(NCCC1=CCCCC1)c1cccc(-c2ccc(N3CCCC3)nn2)c1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide?
The InChIKey is HDPWWPWVBUBQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c28-23(24-14-13-18-7-2-1-3-8-18)20-10-6-9-19(17-20)21-11-12-22(26-25-21)27-15-4-5-16-27/h6-7,9-12,17H,1-5,8,13-16H2,(H,24,28).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide has a molecular weight of 376.50 g/mol, XLogP of 4.36, 6 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]-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide is sourced from PubChem (CID 46375075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).