2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]acetamide

C25H27N5O3 — CID 652437

IUPAC2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc(C(=O)N4CCN(C)CC4)c3)n2)cc1
InChIInChI=1S/C25H27N5O3/c1-18-6-8-19(9-7-18)22-10-11-24(32)30(27-22)17-23(31)26-21-5-3-4-20(16-21)25(33)29-14-12-28(2)13-15-29/h3-11,16H,12-15,17H2,1-2H3,(H,26,31)
InChIKeyZRNDZCKDRSBFSE-UHFFFAOYSA-N
MW445.52 g/mol
LogP2.25
Rot. Bonds5

About 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]acetamide

2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]acetamide (PubChem CID 652437) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
PubChem CID652437
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC Name2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc(C(=O)N4CCN(C)CC4)c3)n2)cc1
InChIInChI=1S/C25H27N5O3/c1-18-6-8-19(9-7-18)22-10-11-24(32)30(27-22)17-23(31)26-21-5-3-4-20(16-21)25(33)29-14-12-28(2)13-15-29/h3-11,16H,12-15,17H2,1-2H3,(H,26,31)
InChIKeyZRNDZCKDRSBFSE-UHFFFAOYSA-N
XLogP2.25
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662380
N-[3-(4-methylphenoxy)phenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 170265302
N-(3-acetylphenyl)-2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7665990
2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide
CID 56921156
N-(2-methyl-1,3-benzothiazol-5-yl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050710
N-(3-chloro-4-fluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 23609017
N-(3,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052648
N-(2,3-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662383
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 46923304
3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26157849
N-(3-methylphenyl)-2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 23611722
N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55874219

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]acetamide (CID 652437) is 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]acetamide is Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc(C(=O)N4CCN(C)CC4)c3)n2)cc1.
What is the InChIKey of 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]acetamide?
The InChIKey is ZRNDZCKDRSBFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-18-6-8-19(9-7-18)22-10-11-24(32)30(27-22)17-23(31)26-21-5-3-4-20(16-21)25(33)29-14-12-28(2)13-15-29/h3-11,16H,12-15,17H2,1-2H3,(H,26,31).
What are the key properties of 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]acetamide?
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]acetamide has a molecular weight of 445.52 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 652437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).