N-[2-[2-(3,5-dimethylanilino)-2-oxoethyl]-6-(4-methylphenyl)-3-oxopyridazin-4-yl]-2-methylpropanamide

C25H28N4O3 — CID 50813202

IUPACN-[2-[2-(3,5-dimethylanilino)-2-oxoethyl]-6-(4-methylphenyl)-3-oxopyridazin-4-yl]-2-methylpropanamide
SMILESCc1ccc(-c2cc(NC(=O)C(C)C)c(=O)n(CC(=O)Nc3cc(C)cc(C)c3)n2)cc1
InChIInChI=1S/C25H28N4O3/c1-15(2)24(31)27-22-13-21(19-8-6-16(3)7-9-19)28-29(25(22)32)14-23(30)26-20-11-17(4)10-18(5)12-20/h6-13,15H,14H2,1-5H3,(H,26,30)(H,27,31)
InChIKeyVYXCGTNHDOTWQH-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.07
Rot. Bonds6

About N-[2-[2-(3,5-dimethylanilino)-2-oxoethyl]-6-(4-methylphenyl)-3-oxopyridazin-4-yl]-2-methylpropanamide

N-[2-[2-(3,5-dimethylanilino)-2-oxoethyl]-6-(4-methylphenyl)-3-oxopyridazin-4-yl]-2-methylpropanamide (PubChem CID 50813202) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[2-[2-(3,5-dimethylanilino)-2-oxoethyl]-6-(4-methylphenyl)-3-oxopyridazin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[2-(3,5-dimethylanilino)-2-oxoethyl]-6-(4-methylphenyl)-3-oxopyridazin-4-yl]-2-methylpropanamide
PubChem CID50813202
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC NameN-[2-[2-(3,5-dimethylanilino)-2-oxoethyl]-6-(4-methylphenyl)-3-oxopyridazin-4-yl]-2-methylpropanamide
SMILESCc1ccc(-c2cc(NC(=O)C(C)C)c(=O)n(CC(=O)Nc3cc(C)cc(C)c3)n2)cc1
InChIInChI=1S/C25H28N4O3/c1-15(2)24(31)27-22-13-21(19-8-6-16(3)7-9-19)28-29(25(22)32)14-23(30)26-20-11-17(4)10-18(5)12-20/h6-13,15H,14H2,1-5H3,(H,26,30)(H,27,31)
InChIKeyVYXCGTNHDOTWQH-UHFFFAOYSA-N
XLogP4.07
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[2-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide
CID 50813225
N-[2-[2-(3-bromoanilino)-2-oxoethyl]-6-(4-methylphenyl)-3-oxopyridazin-4-yl]-2-methylpropanamide
CID 50813237
N-[2-[2-(3,5-dimethylanilino)-2-oxoethyl]-6-(4-methylphenyl)-3-oxopyridazin-4-yl]propanamide
CID 50813022
N-[2-[2-(4-acetylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]-2-methylpropanamide
CID 50813236
N-[2-[2-(4-methoxyanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]-2-methylpropanamide
CID 50813235
2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 50812977
N-(3,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052648
N-(3-methylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662380
2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide
CID 50813032
N-[2-[2-(3-fluoroanilino)-2-oxoethyl]-6-(4-methylphenyl)-3-oxopyridazin-4-yl]benzamide
CID 50812935
2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 50812901
2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 50812995

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,5-dimethylanilino)-2-oxoethyl]-6-(4-methylphenyl)-3-oxopyridazin-4-yl]-2-methylpropanamide?
The IUPAC name of N-[2-[2-(3,5-dimethylanilino)-2-oxoethyl]-6-(4-methylphenyl)-3-oxopyridazin-4-yl]-2-methylpropanamide (CID 50813202) is N-[2-[2-(3,5-dimethylanilino)-2-oxoethyl]-6-(4-methylphenyl)-3-oxopyridazin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[2-(3,5-dimethylanilino)-2-oxoethyl]-6-(4-methylphenyl)-3-oxopyridazin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[2-[2-(3,5-dimethylanilino)-2-oxoethyl]-6-(4-methylphenyl)-3-oxopyridazin-4-yl]-2-methylpropanamide is Cc1ccc(-c2cc(NC(=O)C(C)C)c(=O)n(CC(=O)Nc3cc(C)cc(C)c3)n2)cc1.
What is the InChIKey of N-[2-[2-(3,5-dimethylanilino)-2-oxoethyl]-6-(4-methylphenyl)-3-oxopyridazin-4-yl]-2-methylpropanamide?
The InChIKey is VYXCGTNHDOTWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-15(2)24(31)27-22-13-21(19-8-6-16(3)7-9-19)28-29(25(22)32)14-23(30)26-20-11-17(4)10-18(5)12-20/h6-13,15H,14H2,1-5H3,(H,26,30)(H,27,31).
What are the key properties of N-[2-[2-(3,5-dimethylanilino)-2-oxoethyl]-6-(4-methylphenyl)-3-oxopyridazin-4-yl]-2-methylpropanamide?
N-[2-[2-(3,5-dimethylanilino)-2-oxoethyl]-6-(4-methylphenyl)-3-oxopyridazin-4-yl]-2-methylpropanamide has a molecular weight of 432.52 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,5-dimethylanilino)-2-oxoethyl]-6-(4-methylphenyl)-3-oxopyridazin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 50813202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).