dimethyl 2-[[4-methoxy-1-(4-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]benzene-1,4-dicarboxylate

C23H21N3O7 — CID 26842169

IUPACdimethyl 2-[[4-methoxy-1-(4-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)c2nn(-c3ccc(C)cc3)c(=O)cc2OC)c1
InChIInChI=1S/C23H21N3O7/c1-13-5-8-15(9-6-13)26-19(27)12-18(31-2)20(25-26)21(28)24-17-11-14(22(29)32-3)7-10-16(17)23(30)33-4/h5-12H,1-4H3,(H,24,28)
InChIKeyANSKZTQMLKXIAQ-UHFFFAOYSA-N
MW451.44 g/mol
LogP2.38
Rot. Bonds6

About dimethyl 2-[[4-methoxy-1-(4-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]benzene-1,4-dicarboxylate

dimethyl 2-[[4-methoxy-1-(4-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]benzene-1,4-dicarboxylate (PubChem CID 26842169) has the molecular formula C23H21N3O7 and a molecular weight of 451.44 g/mol. Its IUPAC name is dimethyl 2-[[4-methoxy-1-(4-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[[4-methoxy-1-(4-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]benzene-1,4-dicarboxylate
PubChem CID26842169
Molecular FormulaC23H21N3O7
Molecular Weight451.44 g/mol
Exact Mass451.14
IUPAC Namedimethyl 2-[[4-methoxy-1-(4-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)c2nn(-c3ccc(C)cc3)c(=O)cc2OC)c1
InChIInChI=1S/C23H21N3O7/c1-13-5-8-15(9-6-13)26-19(27)12-18(31-2)20(25-26)21(28)24-17-11-14(22(29)32-3)7-10-16(17)23(30)33-4/h5-12H,1-4H3,(H,24,28)
InChIKeyANSKZTQMLKXIAQ-UHFFFAOYSA-N
XLogP2.38
TPSA125.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.44
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze dimethyl 2-[[4-methoxy-1-(4-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]benzene-1,4-dicarboxylate with MolForge

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Related Compounds

dimethyl 2-[[4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]benzene-1,4-dicarboxylate
CID 26842156
N-(5-chloro-2-hydroxyphenyl)-4-methoxy-1-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8556036
N-(4-fluorophenyl)-4-methoxy-1-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8555849
N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
CID 8557166
N-(3-acetylphenyl)-4-methoxy-1-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8555936
1-(4-fluorophenyl)-4-methoxy-N-(2-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8557151
N-(2-hydroxyphenyl)-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide
CID 8553640
4-methoxy-1-(4-methylphenyl)-6-oxo-N-[(1S)-1-phenylethyl]pyridazine-3-carboxamide
CID 8556306
N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
CID 8557159
dimethyl 2-[[2-(2-methoxy-5-methylanilino)acetyl]amino]benzene-1,4-dicarboxylate
CID 9099944
1-(4-fluorophenyl)-4-methoxy-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8557146
N-(2-ethylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
CID 8557124

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[[4-methoxy-1-(4-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]benzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-[[4-methoxy-1-(4-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]benzene-1,4-dicarboxylate (CID 26842169) is dimethyl 2-[[4-methoxy-1-(4-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]benzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-[[4-methoxy-1-(4-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]benzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-[[4-methoxy-1-(4-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]benzene-1,4-dicarboxylate is COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2nn(-c3ccc(C)cc3)c(=O)cc2OC)c1.
What is the InChIKey of dimethyl 2-[[4-methoxy-1-(4-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]benzene-1,4-dicarboxylate?
The InChIKey is ANSKZTQMLKXIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O7/c1-13-5-8-15(9-6-13)26-19(27)12-18(31-2)20(25-26)21(28)24-17-11-14(22(29)32-3)7-10-16(17)23(30)33-4/h5-12H,1-4H3,(H,24,28).
What are the key properties of dimethyl 2-[[4-methoxy-1-(4-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]benzene-1,4-dicarboxylate?
dimethyl 2-[[4-methoxy-1-(4-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]benzene-1,4-dicarboxylate has a molecular weight of 451.44 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[[4-methoxy-1-(4-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]benzene-1,4-dicarboxylate is sourced from PubChem (CID 26842169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).