2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide

C25H29N5O3 — CID 53023455

IUPAC2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCOc1ccccc1N1CCN(c2ccc(=O)n(CC(=O)NCc3ccc(C)cc3)n2)CC1
InChIInChI=1S/C25H29N5O3/c1-19-7-9-20(10-8-19)17-26-24(31)18-30-25(32)12-11-23(27-30)29-15-13-28(14-16-29)21-5-3-4-6-22(21)33-2/h3-12H,13-18H2,1-2H3,(H,26,31)
InChIKeyUOHAYOOXROFKOQ-UHFFFAOYSA-N
MW447.54 g/mol
LogP2.20
Rot. Bonds7

About 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide

2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 53023455) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID53023455
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCOc1ccccc1N1CCN(c2ccc(=O)n(CC(=O)NCc3ccc(C)cc3)n2)CC1
InChIInChI=1S/C25H29N5O3/c1-19-7-9-20(10-8-19)17-26-24(31)18-30-25(32)12-11-23(27-30)29-15-13-28(14-16-29)21-5-3-4-6-22(21)33-2/h3-12H,13-18H2,1-2H3,(H,26,31)
InChIKeyUOHAYOOXROFKOQ-UHFFFAOYSA-N
XLogP2.20
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide
CID 53023459
6-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 53003918
2-[2-(azepan-1-yl)-2-oxoethyl]-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-one
CID 53023453
N-[(2-methoxyphenyl)methyl]-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide
CID 53371201
2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-morpholin-4-ylpyridazin-3-one
CID 52900090
N-benzyl-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide
CID 53368198
2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 7660007
N-ethyl-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide
CID 53023501
6-cyclopropyl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 122160611
6-imidazol-1-yl-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridazin-3-one
CID 11825714
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetamide
CID 51053620
N'-[(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 40773895

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide (CID 53023455) is 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide is COc1ccccc1N1CCN(c2ccc(=O)n(CC(=O)NCc3ccc(C)cc3)n2)CC1.
What is the InChIKey of 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is UOHAYOOXROFKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-19-7-9-20(10-8-19)17-26-24(31)18-30-25(32)12-11-23(27-30)29-15-13-28(14-16-29)21-5-3-4-6-22(21)33-2/h3-12H,13-18H2,1-2H3,(H,26,31).
What are the key properties of 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 447.54 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 53023455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).