N-[2-(cyclohexen-1-yl)ethyl]-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide

C24H31N5O2 — CID 51043011

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O)NCCC1=CCCCC1
InChIInChI=1S/C24H31N5O2/c30-23(25-14-13-20-7-3-1-4-8-20)19-29-24(31)12-11-22(26-29)28-17-15-27(16-18-28)21-9-5-2-6-10-21/h2,5-7,9-12H,1,3-4,8,13-19H2,(H,25,30)
InChIKeyPZLWFOPWTMTBGK-UHFFFAOYSA-N
MW421.55 g/mol
LogP2.58
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide (PubChem CID 51043011) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide
PubChem CID51043011
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O)NCCC1=CCCCC1
InChIInChI=1S/C24H31N5O2/c30-23(25-14-13-20-7-3-1-4-8-20)19-29-24(31)12-11-22(26-29)28-17-15-27(16-18-28)21-9-5-2-6-10-21/h2,5-7,9-12H,1,3-4,8,13-19H2,(H,25,30)
InChIKeyPZLWFOPWTMTBGK-UHFFFAOYSA-N
XLogP2.58
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide
CID 53023501
N-[2-(cyclohexen-1-yl)ethyl]-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109113643
2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)-N-(2-phenylethyl)acetamide
CID 51052835
N-[2-(cyclohexen-1-yl)ethyl]-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109275408
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide
CID 60519643
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109251049
N-[2-(cyclohexen-1-yl)ethyl]-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 20953640
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 75526882
N-(3,3-diphenylpropyl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide
CID 52898033
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109299498
N-(3,4-difluorophenyl)-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide
CID 53051316
2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]-N-(2-phenylethyl)acetamide
CID 7658916

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide (CID 51043011) is N-[2-(cyclohexen-1-yl)ethyl]-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide is O=C(Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide?
The InChIKey is PZLWFOPWTMTBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c30-23(25-14-13-20-7-3-1-4-8-20)19-29-24(31)12-11-22(26-29)28-17-15-27(16-18-28)21-9-5-2-6-10-21/h2,5-7,9-12H,1,3-4,8,13-19H2,(H,25,30).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide has a molecular weight of 421.55 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide is sourced from PubChem (CID 51043011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).