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

C22H22N4O3 — CID 109127983

IUPACethyl 4-[[6-(4-ethylanilino)pyridazine-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc(Nc3ccc(CC)cc3)nn2)cc1
InChIInChI=1S/C22H22N4O3/c1-3-15-5-9-17(10-6-15)23-20-14-13-19(25-26-20)21(27)24-18-11-7-16(8-12-18)22(28)29-4-2/h5-14H,3-4H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyJAIXLOXVMFSEBK-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.21
Rot. Bonds7

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

ethyl 4-[[6-(4-ethylanilino)pyridazine-3-carbonyl]amino]benzoate (PubChem CID 109127983) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is ethyl 4-[[6-(4-ethylanilino)pyridazine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[6-(4-ethylanilino)pyridazine-3-carbonyl]amino]benzoate
PubChem CID109127983
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Nameethyl 4-[[6-(4-ethylanilino)pyridazine-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc(Nc3ccc(CC)cc3)nn2)cc1
InChIInChI=1S/C22H22N4O3/c1-3-15-5-9-17(10-6-15)23-20-14-13-19(25-26-20)21(27)24-18-11-7-16(8-12-18)22(28)29-4-2/h5-14H,3-4H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyJAIXLOXVMFSEBK-UHFFFAOYSA-N
XLogP4.21
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[[6-[(4-methylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109127130
ethyl 4-[[6-(4-methoxyanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109129362
ethyl 4-[[6-[(3,5-dimethylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109127759
6-(4-ethylanilino)-N-phenylpyridazine-3-carboxamide
CID 109126657
ethyl 4-[[5-[(4-ethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109291635
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
N-[4-(dimethylamino)phenyl]-6-(4-ethylanilino)pyridazine-3-carboxamide
CID 109127978
N-(4-ethylphenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62248142
ethyl 4-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]benzoate
CID 109176919
6-(4-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129827

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[6-(4-ethylanilino)pyridazine-3-carbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[6-(4-ethylanilino)pyridazine-3-carbonyl]amino]benzoate (CID 109127983) is ethyl 4-[[6-(4-ethylanilino)pyridazine-3-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[6-(4-ethylanilino)pyridazine-3-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[6-(4-ethylanilino)pyridazine-3-carbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2ccc(Nc3ccc(CC)cc3)nn2)cc1.
What is the InChIKey of ethyl 4-[[6-(4-ethylanilino)pyridazine-3-carbonyl]amino]benzoate?
The InChIKey is JAIXLOXVMFSEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-3-15-5-9-17(10-6-15)23-20-14-13-19(25-26-20)21(27)24-18-11-7-16(8-12-18)22(28)29-4-2/h5-14H,3-4H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of ethyl 4-[[6-(4-ethylanilino)pyridazine-3-carbonyl]amino]benzoate?
ethyl 4-[[6-(4-ethylanilino)pyridazine-3-carbonyl]amino]benzoate has a molecular weight of 390.44 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[6-(4-ethylanilino)pyridazine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 109127983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).