4-[[5-(3,4-dimethylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-methylbenzamide

C21H22N4O3 — CID 42832669

IUPAC4-[[5-(3,4-dimethylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Nc2c(Oc3ccc(C)c(C)c3)cnn(C)c2=O)cc1
InChIInChI=1S/C21H22N4O3/c1-13-5-10-17(11-14(13)2)28-18-12-23-25(4)21(27)19(18)24-16-8-6-15(7-9-16)20(26)22-3/h5-12,24H,1-4H3,(H,22,26)
InChIKeyGHYQJDCWMANSLG-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.29
Rot. Bonds5

About 4-[[5-(3,4-dimethylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-methylbenzamide

4-[[5-(3,4-dimethylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-methylbenzamide (PubChem CID 42832669) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 4-[[5-(3,4-dimethylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[5-(3,4-dimethylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-methylbenzamide
PubChem CID42832669
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name4-[[5-(3,4-dimethylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Nc2c(Oc3ccc(C)c(C)c3)cnn(C)c2=O)cc1
InChIInChI=1S/C21H22N4O3/c1-13-5-10-17(11-14(13)2)28-18-12-23-25(4)21(27)19(18)24-16-8-6-15(7-9-16)20(26)22-3/h5-12,24H,1-4H3,(H,22,26)
InChIKeyGHYQJDCWMANSLG-UHFFFAOYSA-N
XLogP3.29
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-4-[[5-(4-chloro-3-methylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-methylbenzamide
CID 42833640
4-[[5-(3-chlorophenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(3-methylbutyl)benzamide
CID 46001056
N-cyclopropyl-4-[[2-methyl-3-oxo-5-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]amino]benzamide
CID 42833659
5-(4-fluorophenoxy)-2-methyl-4-[4-(4-methylpiperazine-1-carbonyl)anilino]pyridazin-3-one
CID 42832695
4-[4-(4-acetylpiperazine-1-carbonyl)anilino]-5-(4-fluorophenoxy)-2-methylpyridazin-3-one
CID 42832694
5-methoxy-2-methyl-4-(4-methylanilino)pyridazin-3-one
CID 102371058
4-[[5-(2,4-dimethylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 46148858
N-ethyl-N-methyl-4-[[2-methyl-3-oxo-5-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]amino]benzamide
CID 42833663
4-[[5-(2,3-dimethylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 46148880
4-[[2-(4-methoxyphenyl)-5-(3-methylphenoxy)-3-oxopyridazin-4-yl]amino]-N-propylbenzamide
CID 46002193
3-[[5-(4-chlorophenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(2-methylpropyl)benzamide
CID 42830831
3-[[2-(3-chlorophenyl)-5-(3,4-dimethylphenoxy)-3-oxopyridazin-4-yl]amino]-N-cyclopropylbenzamide
CID 42832620

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3,4-dimethylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-methylbenzamide?
The IUPAC name of 4-[[5-(3,4-dimethylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-methylbenzamide (CID 42832669) is 4-[[5-(3,4-dimethylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-[[5-(3,4-dimethylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-methylbenzamide?
The canonical SMILES for 4-[[5-(3,4-dimethylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-methylbenzamide is CNC(=O)c1ccc(Nc2c(Oc3ccc(C)c(C)c3)cnn(C)c2=O)cc1.
What is the InChIKey of 4-[[5-(3,4-dimethylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-methylbenzamide?
The InChIKey is GHYQJDCWMANSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-13-5-10-17(11-14(13)2)28-18-12-23-25(4)21(27)19(18)24-16-8-6-15(7-9-16)20(26)22-3/h5-12,24H,1-4H3,(H,22,26).
What are the key properties of 4-[[5-(3,4-dimethylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-methylbenzamide?
4-[[5-(3,4-dimethylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-methylbenzamide has a molecular weight of 378.43 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3,4-dimethylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-methylbenzamide is sourced from PubChem (CID 42832669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).