2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2,3-dimethylphenyl)acetamide

C23H24N4O3 — CID 27262241

IUPAC2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
SMILESCC(=O)Nc1cc(-c2ccc(=O)n(CC(=O)Nc3cccc(C)c3C)n2)ccc1C
InChIInChI=1S/C23H24N4O3/c1-14-6-5-7-19(16(14)3)25-22(29)13-27-23(30)11-10-20(26-27)18-9-8-15(2)21(12-18)24-17(4)28/h5-12H,13H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyXWXBWOZYEILSPC-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.43
Rot. Bonds5

About 2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2,3-dimethylphenyl)acetamide

2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 27262241) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
PubChem CID27262241
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
SMILESCC(=O)Nc1cc(-c2ccc(=O)n(CC(=O)Nc3cccc(C)c3C)n2)ccc1C
InChIInChI=1S/C23H24N4O3/c1-14-6-5-7-19(16(14)3)25-22(29)13-27-23(30)11-10-20(26-27)18-9-8-15(2)21(12-18)24-17(4)28/h5-12H,13H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyXWXBWOZYEILSPC-UHFFFAOYSA-N
XLogP3.43
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662383
2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 27266322
2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 7659740
2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 25249869
N-[5-[1-[2-(2-chloro-6-methylanilino)-2-oxoethyl]-6-oxopyridazin-3-yl]-2-methylphenyl]propanamide
CID 27261976
N-(2,3-dimethylphenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052418
N-[2-methyl-5-[6-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridazin-3-yl]phenyl]propanamide
CID 27260731
N-[5-[1-[2-(4-fluoroanilino)-2-oxoethyl]-6-oxopyridazin-3-yl]-2-methylphenyl]propanamide
CID 27518001
N-[5-[1-[2-(2,4-difluoroanilino)-2-oxoethyl]-6-oxopyridazin-3-yl]-2-methylphenyl]propanamide
CID 25249906
2-[3-(3-acetamido-4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 27261551
N-(2,5-dimethylphenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide
CID 7665571
N-(2,3-dimethylphenyl)-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885730

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2,3-dimethylphenyl)acetamide (CID 27262241) is 2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2,3-dimethylphenyl)acetamide is CC(=O)Nc1cc(-c2ccc(=O)n(CC(=O)Nc3cccc(C)c3C)n2)ccc1C.
What is the InChIKey of 2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is XWXBWOZYEILSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-14-6-5-7-19(16(14)3)25-22(29)13-27-23(30)11-10-20(26-27)18-9-8-15(2)21(12-18)24-17(4)28/h5-12H,13H2,1-4H3,(H,24,28)(H,25,29).
What are the key properties of 2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2,3-dimethylphenyl)acetamide?
2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 404.47 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 27262241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).