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

C23H24N4O4 — CID 50812995

IUPAC2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)Cn1nc(-c2ccc(C)cc2)cc(NC(C)=O)c1=O
InChIInChI=1S/C23H24N4O4/c1-14-5-8-17(9-6-14)18-12-20(24-16(3)28)23(30)27(26-18)13-22(29)25-19-11-15(2)7-10-21(19)31-4/h5-12H,13H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyMXHHXXMVIWTEQW-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.13
Rot. Bonds6

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

2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 50812995) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID50812995
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)Cn1nc(-c2ccc(C)cc2)cc(NC(C)=O)c1=O
InChIInChI=1S/C23H24N4O4/c1-14-5-8-17(9-6-14)18-12-20(24-16(3)28)23(30)27(26-18)13-22(29)25-19-11-15(2)7-10-21(19)31-4/h5-12H,13H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyMXHHXXMVIWTEQW-UHFFFAOYSA-N
XLogP3.13
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 50812901
2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 7666344
2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 50812977
2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide
CID 50813032
N-(2-methoxy-5-methylphenyl)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide
CID 16811043
N-(5-acetamido-2-methoxyphenyl)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050271
N-[2-[2-(3,5-dimethylanilino)-2-oxoethyl]-6-(4-methylphenyl)-3-oxopyridazin-4-yl]propanamide
CID 50813022
2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-(2-bromophenyl)acetamide
CID 50812937
N-(5-chloro-2-methoxyphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 5064821
N-(2-methoxy-5-methylphenyl)-2-(5-methyl-3-oxo-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide
CID 53156714
2-[5-acetamido-3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-fluoro-2-methylphenyl)acetamide
CID 50812905
2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 16804946

Frequently Asked Questions

What is the IUPAC name of 2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide (CID 50812995) is 2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)Cn1nc(-c2ccc(C)cc2)cc(NC(C)=O)c1=O.
What is the InChIKey of 2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is MXHHXXMVIWTEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-14-5-8-17(9-6-14)18-12-20(24-16(3)28)23(30)27(26-18)13-22(29)25-19-11-15(2)7-10-21(19)31-4/h5-12H,13H2,1-4H3,(H,24,28)(H,25,29).
What are the key properties of 2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 420.47 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 50812995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).