2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide

C25H22N4O3 — CID 50813032

IUPAC2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide
SMILESCC(=O)Nc1cc(-c2ccc(C)cc2)nn(CC(=O)Nc2cccc3ccccc23)c1=O
InChIInChI=1S/C25H22N4O3/c1-16-10-12-19(13-11-16)22-14-23(26-17(2)30)25(32)29(28-22)15-24(31)27-21-9-5-7-18-6-3-4-8-20(18)21/h3-14H,15H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyLNTBUUUWNHITSM-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.97
Rot. Bonds5

About 2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide

2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide (PubChem CID 50813032) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is 2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide
PubChem CID50813032
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC Name2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide
SMILESCC(=O)Nc1cc(-c2ccc(C)cc2)nn(CC(=O)Nc2cccc3ccccc23)c1=O
InChIInChI=1S/C25H22N4O3/c1-16-10-12-19(13-11-16)22-14-23(26-17(2)30)25(32)29(28-22)15-24(31)27-21-9-5-7-18-6-3-4-8-20(18)21/h3-14H,15H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyLNTBUUUWNHITSM-UHFFFAOYSA-N
XLogP3.97
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 50812901
2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide
CID 46518026
2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 50812995
2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 50812977
2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-(2-bromophenyl)acetamide
CID 50812937
N-[2-[2-(3,5-dimethylanilino)-2-oxoethyl]-6-(4-methylphenyl)-3-oxopyridazin-4-yl]propanamide
CID 50813022
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide
CID 7659865
N-naphthalen-1-yl-2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetamide
CID 8699032
2-methyl-N-[2-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide
CID 50813225
N-[2-[2-(3-fluoroanilino)-2-oxoethyl]-6-(4-methylphenyl)-3-oxopyridazin-4-yl]benzamide
CID 50812935
2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)-N-naphthalen-1-ylacetamide
CID 7747904
2-[5-acetamido-3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-fluoro-2-methylphenyl)acetamide
CID 50812905

Frequently Asked Questions

What is the IUPAC name of 2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide (CID 50813032) is 2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide is CC(=O)Nc1cc(-c2ccc(C)cc2)nn(CC(=O)Nc2cccc3ccccc23)c1=O.
What is the InChIKey of 2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide?
The InChIKey is LNTBUUUWNHITSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-16-10-12-19(13-11-16)22-14-23(26-17(2)30)25(32)29(28-22)15-24(31)27-21-9-5-7-18-6-3-4-8-20(18)21/h3-14H,15H2,1-2H3,(H,26,30)(H,27,31).
What are the key properties of 2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide?
2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide has a molecular weight of 426.48 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 50813032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).