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

C22H21N3O3 — CID 7665990

IUPACN-(3-acetylphenyl)-2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)Cn2nc(-c3ccc(C)cc3C)ccc2=O)c1
InChIInChI=1S/C22H21N3O3/c1-14-7-8-19(15(2)11-14)20-9-10-22(28)25(24-20)13-21(27)23-18-6-4-5-17(12-18)16(3)26/h4-12H,13H2,1-3H3,(H,23,27)
InChIKeyJWUIYYHQZWZOIZ-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.37
Rot. Bonds5

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

N-(3-acetylphenyl)-2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 7665990) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID7665990
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-(3-acetylphenyl)-2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)Cn2nc(-c3ccc(C)cc3C)ccc2=O)c1
InChIInChI=1S/C22H21N3O3/c1-14-7-8-19(15(2)11-14)20-9-10-22(28)25(24-20)13-21(27)23-18-6-4-5-17(12-18)16(3)26/h4-12H,13H2,1-3H3,(H,23,27)
InChIKeyJWUIYYHQZWZOIZ-UHFFFAOYSA-N
XLogP3.37
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662380
N-(4-methylphenyl)-2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7671928
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 652437
methyl 4-[[2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzoate
CID 7672095
N-(3-acetylphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517248
N-(3-fluoro-4-methylphenyl)-2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide
CID 7672344
2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide
CID 3224444
N-(2,3-dichlorophenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7672207
2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 7672092
N-(3-methoxyphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662660
N-[3-(4-methylphenoxy)phenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 170265302
2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 16800195

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide (CID 7665990) is N-(3-acetylphenyl)-2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide is CC(=O)c1cccc(NC(=O)Cn2nc(-c3ccc(C)cc3C)ccc2=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is JWUIYYHQZWZOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-14-7-8-19(15(2)11-14)20-9-10-22(28)25(24-20)13-21(27)23-18-6-4-5-17(12-18)16(3)26/h4-12H,13H2,1-3H3,(H,23,27).
What are the key properties of N-(3-acetylphenyl)-2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide?
N-(3-acetylphenyl)-2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 375.43 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 7665990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).