N-[2-(cyclohexen-1-yl)ethyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide

C23H28N4O2 — CID 46375087

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide
SMILESO=C(NCCC1=CCCCC1)c1cccc(-c2ccc(N3CCOCC3)nn2)c1
InChIInChI=1S/C23H28N4O2/c28-23(24-12-11-18-5-2-1-3-6-18)20-8-4-7-19(17-20)21-9-10-22(26-25-21)27-13-15-29-16-14-27/h4-5,7-10,17H,1-3,6,11-16H2,(H,24,28)
InChIKeyNWHGNINONWBYEM-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.60
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide

N-[2-(cyclohexen-1-yl)ethyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide (PubChem CID 46375087) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide
PubChem CID46375087
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide
SMILESO=C(NCCC1=CCCCC1)c1cccc(-c2ccc(N3CCOCC3)nn2)c1
InChIInChI=1S/C23H28N4O2/c28-23(24-12-11-18-5-2-1-3-6-18)20-8-4-7-19(17-20)21-9-10-22(26-25-21)27-13-15-29-16-14-27/h4-5,7-10,17H,1-3,6,11-16H2,(H,24,28)
InChIKeyNWHGNINONWBYEM-UHFFFAOYSA-N
XLogP3.60
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.60
H-Bond Donors ≤ 51
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]-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 46375075
3-(6-morpholin-4-ylpyridazin-3-yl)-N-(3-phenylpropyl)benzamide
CID 50816070
3-(6-morpholin-4-ylpyridazin-3-yl)-N-pentylbenzamide
CID 50816215
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109052413
N-[(4-bromophenyl)methyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide
CID 50815991
N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025322
N-[2-(cyclohexen-1-yl)ethyl]-4-morpholin-4-ylquinazoline-6-carboxamide
CID 71842370
N-[2-(cyclohexen-1-yl)ethyl]-3-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide
CID 46387080
(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]-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109113643
N-(4-chlorophenyl)-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide
CID 50815960
N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422444

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide (CID 46375087) is N-[2-(cyclohexen-1-yl)ethyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide is O=C(NCCC1=CCCCC1)c1cccc(-c2ccc(N3CCOCC3)nn2)c1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide?
The InChIKey is NWHGNINONWBYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c28-23(24-12-11-18-5-2-1-3-6-18)20-8-4-7-19(17-20)21-9-10-22(26-25-21)27-13-15-29-16-14-27/h4-5,7-10,17H,1-3,6,11-16H2,(H,24,28).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide has a molecular weight of 392.50 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide is sourced from PubChem (CID 46375087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).