ethyl 2-[[6-(4-methoxyanilino)pyridazine-3-carbonyl]amino]benzoate

C21H20N4O4 — CID 109129372

IUPACethyl 2-[[6-(4-methoxyanilino)pyridazine-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccc(Nc2ccc(OC)cc2)nn1
InChIInChI=1S/C21H20N4O4/c1-3-29-21(27)16-6-4-5-7-17(16)23-20(26)18-12-13-19(25-24-18)22-14-8-10-15(28-2)11-9-14/h4-13H,3H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyHXTKZRVLRBFIND-UHFFFAOYSA-N
MW392.42 g/mol
LogP3.66
Rot. Bonds7

About ethyl 2-[[6-(4-methoxyanilino)pyridazine-3-carbonyl]amino]benzoate

ethyl 2-[[6-(4-methoxyanilino)pyridazine-3-carbonyl]amino]benzoate (PubChem CID 109129372) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is ethyl 2-[[6-(4-methoxyanilino)pyridazine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[6-(4-methoxyanilino)pyridazine-3-carbonyl]amino]benzoate
PubChem CID109129372
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Nameethyl 2-[[6-(4-methoxyanilino)pyridazine-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccc(Nc2ccc(OC)cc2)nn1
InChIInChI=1S/C21H20N4O4/c1-3-29-21(27)16-6-4-5-7-17(16)23-20(26)18-12-13-19(25-24-18)22-14-8-10-15(28-2)11-9-14/h4-13H,3H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyHXTKZRVLRBFIND-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-methoxyanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109129362
ethyl 2-(4-methoxyanilino)benzoate
CID 13424427
ethyl 2-[[6-[(4-methylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109127135
ethyl 2-[[6-[(4-fluorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128564
6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129382
ethyl 2-[[5-(4-methoxyanilino)-1,2,4-triazin-3-yl]amino]benzoate
CID 112967384
ethyl 2-[[6-[(2-methylphenyl)methylamino]pyridazine-3-carbonyl]amino]benzoate
CID 109118102
ethyl 2-[[6-[(2-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199714
6-(4-ethoxyanilino)-N-(2-fluorophenyl)pyridazine-3-carboxamide
CID 109128416
ethyl 2-[[6-[(3-chlorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128721
N-(4-acetamidophenyl)-6-(4-methoxyanilino)pyridazine-3-carboxamide
CID 109129349
ethyl 2-[[6-(1-phenylethylamino)pyridazine-3-carbonyl]amino]benzoate
CID 109118806

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[6-(4-methoxyanilino)pyridazine-3-carbonyl]amino]benzoate?
The IUPAC name of ethyl 2-[[6-(4-methoxyanilino)pyridazine-3-carbonyl]amino]benzoate (CID 109129372) is ethyl 2-[[6-(4-methoxyanilino)pyridazine-3-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[6-(4-methoxyanilino)pyridazine-3-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[6-(4-methoxyanilino)pyridazine-3-carbonyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1ccc(Nc2ccc(OC)cc2)nn1.
What is the InChIKey of ethyl 2-[[6-(4-methoxyanilino)pyridazine-3-carbonyl]amino]benzoate?
The InChIKey is HXTKZRVLRBFIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-3-29-21(27)16-6-4-5-7-17(16)23-20(26)18-12-13-19(25-24-18)22-14-8-10-15(28-2)11-9-14/h4-13H,3H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of ethyl 2-[[6-(4-methoxyanilino)pyridazine-3-carbonyl]amino]benzoate?
ethyl 2-[[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 2-[[6-(4-methoxyanilino)pyridazine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 109129372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).