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

C21H29N5O3 — CID 11014848

IUPAC5-acetyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2,6-dimethylpyridazin-3-one
SMILESCOc1ccccc1N1CCN(CCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1
InChIInChI=1S/C21H29N5O3/c1-15-19(16(2)27)20(21(28)24(3)23-15)22-9-10-25-11-13-26(14-12-25)17-7-5-6-8-18(17)29-4/h5-8,22H,9-14H2,1-4H3
InChIKeyJTNOVHSABZCNCD-UHFFFAOYSA-N
MW399.50 g/mol
LogP1.53
Rot. Bonds7

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

5-acetyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2,6-dimethylpyridazin-3-one (PubChem CID 11014848) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is 5-acetyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2,6-dimethylpyridazin-3-one.

Molecular Properties

Compound Name5-acetyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2,6-dimethylpyridazin-3-one
PubChem CID11014848
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC Name5-acetyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2,6-dimethylpyridazin-3-one
SMILESCOc1ccccc1N1CCN(CCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1
InChIInChI=1S/C21H29N5O3/c1-15-19(16(2)27)20(21(28)24(3)23-15)22-9-10-25-11-13-26(14-12-25)17-7-5-6-8-18(17)29-4/h5-8,22H,9-14H2,1-4H3
InChIKeyJTNOVHSABZCNCD-UHFFFAOYSA-N
XLogP1.53
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

5-Methylurapidil
CID 5640
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-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propylamino}-2,6-dimethyl-2H-pyridazin-3-one
CID 10949698
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
N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)propionamide
CID 10517704

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2,6-dimethylpyridazin-3-one?
The IUPAC name of 5-acetyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2,6-dimethylpyridazin-3-one (CID 11014848) is 5-acetyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2,6-dimethylpyridazin-3-one.
What is the SMILES notation for 5-acetyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2,6-dimethylpyridazin-3-one?
The canonical SMILES for 5-acetyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2,6-dimethylpyridazin-3-one is COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1.
What is the InChIKey of 5-acetyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2,6-dimethylpyridazin-3-one?
The InChIKey is JTNOVHSABZCNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-15-19(16(2)27)20(21(28)24(3)23-15)22-9-10-25-11-13-26(14-12-25)17-7-5-6-8-18(17)29-4/h5-8,22H,9-14H2,1-4H3.
What are the key properties of 5-acetyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2,6-dimethylpyridazin-3-one?
5-acetyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2,6-dimethylpyridazin-3-one has a molecular weight of 399.50 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2,6-dimethylpyridazin-3-one is sourced from PubChem (CID 11014848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).