ethyl 4-[[6-(4-methoxyanilino)pyridazine-3-carbonyl]amino]benzoate

C21H20N4O4 — CID 109129362

IUPACethyl 4-[[6-(4-methoxyanilino)pyridazine-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc(Nc3ccc(OC)cc3)nn2)cc1
InChIInChI=1S/C21H20N4O4/c1-3-29-21(27)14-4-6-16(7-5-14)23-20(26)18-12-13-19(25-24-18)22-15-8-10-17(28-2)11-9-15/h4-13H,3H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyHIFYPIITOKTYFB-UHFFFAOYSA-N
MW392.42 g/mol
LogP3.66
Rot. Bonds7

About ethyl 4-[[6-(4-methoxyanilino)pyridazine-3-carbonyl]amino]benzoate

ethyl 4-[[6-(4-methoxyanilino)pyridazine-3-carbonyl]amino]benzoate (PubChem CID 109129362) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is ethyl 4-[[6-(4-methoxyanilino)pyridazine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[6-(4-methoxyanilino)pyridazine-3-carbonyl]amino]benzoate
PubChem CID109129362
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Nameethyl 4-[[6-(4-methoxyanilino)pyridazine-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc(Nc3ccc(OC)cc3)nn2)cc1
InChIInChI=1S/C21H20N4O4/c1-3-29-21(27)14-4-6-16(7-5-14)23-20(26)18-12-13-19(25-24-18)22-15-8-10-17(28-2)11-9-15/h4-13H,3H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyHIFYPIITOKTYFB-UHFFFAOYSA-N
XLogP3.66
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[[6-[(4-methylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109127130
ethyl 4-[[6-(4-ethylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109127983
6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129382
ethyl 4-[[6-[(3,5-dimethylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109127759
ethyl 2-[[6-(4-methoxyanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109129372
N-(4-acetamidophenyl)-6-(4-methoxyanilino)pyridazine-3-carboxamide
CID 109129349
ethyl 4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carbonyl]amino]benzoate
CID 109130228
ethyl 4-[[6-(2-chloroanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109128602
ethyl 4-[[6-[(2,4-dimethylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109127567
6-[4-(dimethylamino)anilino]-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129399
ethyl 4-[[4-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 46283329
6-(3,4-dimethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129388

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[6-(4-methoxyanilino)pyridazine-3-carbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[6-(4-methoxyanilino)pyridazine-3-carbonyl]amino]benzoate (CID 109129362) is ethyl 4-[[6-(4-methoxyanilino)pyridazine-3-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[6-(4-methoxyanilino)pyridazine-3-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[6-(4-methoxyanilino)pyridazine-3-carbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2ccc(Nc3ccc(OC)cc3)nn2)cc1.
What is the InChIKey of ethyl 4-[[6-(4-methoxyanilino)pyridazine-3-carbonyl]amino]benzoate?
The InChIKey is HIFYPIITOKTYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-3-29-21(27)14-4-6-16(7-5-14)23-20(26)18-12-13-19(25-24-18)22-15-8-10-17(28-2)11-9-15/h4-13H,3H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of ethyl 4-[[6-(4-methoxyanilino)pyridazine-3-carbonyl]amino]benzoate?
ethyl 4-[[6-(4-methoxyanilino)pyridazine-3-carbonyl]amino]benzoate has a molecular weight of 392.42 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[6-(4-methoxyanilino)pyridazine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 109129362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).