5-acetyl-4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-2,6-dimethylpyridazin-3-one

C22H31N5O3 — CID 10949698

IUPAC5-acetyl-4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-2,6-dimethylpyridazin-3-one
SMILESCOc1ccccc1N1CCN(CCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1
InChIInChI=1S/C22H31N5O3/c1-16-20(17(2)28)21(22(29)25(3)24-16)23-10-7-11-26-12-14-27(15-13-26)18-8-5-6-9-19(18)30-4/h5-6,8-9,23H,7,10-15H2,1-4H3
InChIKeyJJNSORDALXSHNX-UHFFFAOYSA-N
MW413.52 g/mol
LogP1.92
Rot. Bonds8

About 5-acetyl-4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-2,6-dimethylpyridazin-3-one

5-acetyl-4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-2,6-dimethylpyridazin-3-one (PubChem CID 10949698) has the molecular formula C22H31N5O3 and a molecular weight of 413.52 g/mol. Its IUPAC name is 5-acetyl-4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-2,6-dimethylpyridazin-3-one.

Molecular Properties

Compound Name5-acetyl-4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-2,6-dimethylpyridazin-3-one
PubChem CID10949698
Molecular FormulaC22H31N5O3
Molecular Weight413.52 g/mol
Exact Mass413.24
IUPAC Name5-acetyl-4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-2,6-dimethylpyridazin-3-one
SMILESCOc1ccccc1N1CCN(CCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1
InChIInChI=1S/C22H31N5O3/c1-16-20(17(2)28)21(22(29)25(3)24-16)23-10-7-11-26-12-14-27(15-13-26)18-8-5-6-9-19(18)30-4/h5-6,8-9,23H,7,10-15H2,1-4H3
InChIKeyJJNSORDALXSHNX-UHFFFAOYSA-N
XLogP1.92
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-acetyl-4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-2,6-dimethylpyridazin-3-one 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

5-Methylurapidil
CID 5640
4-[(2-Methoxyphenyl)amino]-~{n}-[4-(4-Methylpiperazin-1-Yl)phenyl]-2-Oxidanylidene-1~{h}-Pyridine-3-Carboxamide
CID 102515538
N'-(5-isopropenyl-2-methylcyclohex-2-en-1-ylidene)-2-(2-methoxyanilino)acetohydrazide
CID 9695436
4-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethylamino}-2-methyl-6-phenyl-5-propionyl-2H-pyridazin-3-one
CID 10005161
5-Isobutyryl-4-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethylamino}-2-methyl-6-phenyl-2H-pyridazin-3-one
CID 10074286
5-Acetyl-4-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethylamino}-2-methyl-6-phenyl-2H-pyridazin-3-one
CID 10434440
4-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethylamino}-2-methyl-6-phenyl-2H-pyridazin-3-one
CID 10916771
5-Acetyl-4-{3-[4-(5-chloro-2-methoxy-phenyl)-piperazin-1-yl]-propylamino}-2,6-dimethyl-2H-pyridazin-3-one
CID 10917316
5-Acetyl-4-amino-2-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethyl}-6-phenyl-2H-pyridazin-3-one
CID 44294569
N-[2-(2-methoxyanilino)-2-oxoethyl]-6-oxo-N-propyl-1H-pyridine-3-carboxamide
CID 4780294
N'-[(1Z)-5-isopropenyl-2-methylcyclohex-2-en-1-ylidene]-2-[(2-methoxyphenyl)amino]acetohydrazide
CID 5788128
4-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethylamino}-2,6-dimethyl-2H-pyridazin-3-one
CID 10893672

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-2,6-dimethylpyridazin-3-one?
The IUPAC name of 5-acetyl-4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-2,6-dimethylpyridazin-3-one (CID 10949698) is 5-acetyl-4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-2,6-dimethylpyridazin-3-one.
What is the SMILES notation for 5-acetyl-4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-2,6-dimethylpyridazin-3-one?
The canonical SMILES for 5-acetyl-4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-2,6-dimethylpyridazin-3-one is COc1ccccc1N1CCN(CCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1.
What is the InChIKey of 5-acetyl-4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-2,6-dimethylpyridazin-3-one?
The InChIKey is JJNSORDALXSHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O3/c1-16-20(17(2)28)21(22(29)25(3)24-16)23-10-7-11-26-12-14-27(15-13-26)18-8-5-6-9-19(18)30-4/h5-6,8-9,23H,7,10-15H2,1-4H3.
What are the key properties of 5-acetyl-4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-2,6-dimethylpyridazin-3-one?
5-acetyl-4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-2,6-dimethylpyridazin-3-one has a molecular weight of 413.52 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-2,6-dimethylpyridazin-3-one is sourced from PubChem (CID 10949698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).