ethyl 4-[[2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carbonyl]amino]benzoate

C21H21N3O4 — CID 2016585

IUPACethyl 4-[[2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2=CCC(=O)N(c3cccc(C)c3)N2)cc1
InChIInChI=1S/C21H21N3O4/c1-3-28-21(27)15-7-9-16(10-8-15)22-20(26)18-11-12-19(25)24(23-18)17-6-4-5-14(2)13-17/h4-11,13,23H,3,12H2,1-2H3,(H,22,26)
InChIKeyXYJJNEFZNYKXCE-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.94
Rot. Bonds5

About ethyl 4-[[2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carbonyl]amino]benzoate

ethyl 4-[[2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carbonyl]amino]benzoate (PubChem CID 2016585) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is ethyl 4-[[2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carbonyl]amino]benzoate
PubChem CID2016585
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Nameethyl 4-[[2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2=CCC(=O)N(c3cccc(C)c3)N2)cc1
InChIInChI=1S/C21H21N3O4/c1-3-28-21(27)15-7-9-16(10-8-15)22-20(26)18-11-12-19(25)24(23-18)17-6-4-5-14(2)13-17/h4-11,13,23H,3,12H2,1-2H3,(H,22,26)
InChIKeyXYJJNEFZNYKXCE-UHFFFAOYSA-N
XLogP2.94
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carbonyl]amino]benzoate with MolForge

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Related Compounds

ethyl 4-[[2-(4-chlorophenyl)-3-oxo-1,4-dihydropyridazine-6-carbonyl]amino]benzoate
CID 2010038
N-[2-(4-chlorophenyl)ethyl]-2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide
CID 2019625
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide
CID 2024588
ethyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate
CID 113098824
ethyl 4-[[3-(1,2,4-triazol-4-yl)benzoyl]amino]benzoate
CID 6460869
ethyl 4-[[2-[[2-(3-methylphenyl)acetyl]amino]acetyl]amino]benzoate
CID 113000793
ethyl 4-[[2-[4-[(3-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate
CID 22782235
ethyl 4-[(4-acetylbenzoyl)amino]benzoate
CID 4687806
ethyl 4-[[4-(2-methylpropanoylamino)benzoyl]amino]benzoate
CID 5236390
ethyl 4-[[2-[(4R)-1-(3-methylphenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
CID 27136617
ethyl 4-[(4-iodobenzoyl)amino]benzoate
CID 1372273
ethyl 4-[[3-[(1S,2S,6S,7R,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]benzoyl]amino]benzoate
CID 98284585

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carbonyl]amino]benzoate (CID 2016585) is ethyl 4-[[2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)C2=CCC(=O)N(c3cccc(C)c3)N2)cc1.
What is the InChIKey of ethyl 4-[[2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carbonyl]amino]benzoate?
The InChIKey is XYJJNEFZNYKXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-3-28-21(27)15-7-9-16(10-8-15)22-20(26)18-11-12-19(25)24(23-18)17-6-4-5-14(2)13-17/h4-11,13,23H,3,12H2,1-2H3,(H,22,26).
What are the key properties of ethyl 4-[[2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carbonyl]amino]benzoate?
ethyl 4-[[2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carbonyl]amino]benzoate has a molecular weight of 379.42 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carbonyl]amino]benzoate is sourced from PubChem (CID 2016585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).