N-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

C24H27ClN5O2+ — CID 4067221

IUPACN-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)ccc1=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C24H26ClN5O2/c25-20-7-4-8-21(17-20)29-15-13-28(14-16-29)12-11-26-23(31)18-30-24(32)10-9-22(27-30)19-5-2-1-3-6-19/h1-10,17H,11-16,18H2,(H,26,31)/p+1
InChIKeyZGCXCVAICLMBAA-UHFFFAOYSA-O
MW452.97 g/mol
LogP1.09
Rot. Bonds7

About N-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

N-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (PubChem CID 4067221) has the molecular formula C24H27ClN5O2+ and a molecular weight of 452.97 g/mol. Its IUPAC name is N-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
PubChem CID4067221
Molecular FormulaC24H27ClN5O2+
Molecular Weight452.97 g/mol
Exact Mass452.18
IUPAC NameN-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)ccc1=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C24H26ClN5O2/c25-20-7-4-8-21(17-20)29-15-13-28(14-16-29)12-11-26-23(31)18-30-24(32)10-9-22(27-30)19-5-2-1-3-6-19/h1-10,17H,11-16,18H2,(H,26,31)/p+1
InChIKeyZGCXCVAICLMBAA-UHFFFAOYSA-O
XLogP1.09
TPSA71.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.97
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55842150
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121051682
N-[2-(azepan-1-ium-1-yl)ethyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 3432245
3-chloro-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide
CID 3480047
2-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]-6-phenylpyridazin-3-one
CID 16884417
N-(2,5-dichlorophenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 7659702
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55870563
2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]-N-(2-phenylethyl)acetamide
CID 7658916
N-(3-hydroxybutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 111429019
N-butyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 4064418
N-[2-(6-chloroindol-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 53369148
N-(2-morpholin-4-ylethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053341

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (CID 4067221) is N-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The canonical SMILES for N-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is O=C(Cn1nc(-c2ccccc2)ccc1=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of N-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The InChIKey is ZGCXCVAICLMBAA-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H26ClN5O2/c25-20-7-4-8-21(17-20)29-15-13-28(14-16-29)12-11-26-23(31)18-30-24(32)10-9-22(27-30)19-5-2-1-3-6-19/h1-10,17H,11-16,18H2,(H,26,31)/p+1.
What are the key properties of N-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
N-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide has a molecular weight of 452.97 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 4067221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).