ethyl 2-[[6-(4-ethylpiperazine-1-carbonyl)pyridazin-3-yl]amino]benzoate

C20H25N5O3 — CID 109116763

IUPACethyl 2-[[6-(4-ethylpiperazine-1-carbonyl)pyridazin-3-yl]amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1ccc(C(=O)N2CCN(CC)CC2)nn1
InChIInChI=1S/C20H25N5O3/c1-3-24-11-13-25(14-12-24)19(26)17-9-10-18(23-22-17)21-16-8-6-5-7-15(16)20(27)28-4-2/h5-10H,3-4,11-14H2,1-2H3,(H,21,23)
InChIKeyWXHYQMWVFYARHU-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.17
Rot. Bonds6

About ethyl 2-[[6-(4-ethylpiperazine-1-carbonyl)pyridazin-3-yl]amino]benzoate

ethyl 2-[[6-(4-ethylpiperazine-1-carbonyl)pyridazin-3-yl]amino]benzoate (PubChem CID 109116763) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is ethyl 2-[[6-(4-ethylpiperazine-1-carbonyl)pyridazin-3-yl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[6-(4-ethylpiperazine-1-carbonyl)pyridazin-3-yl]amino]benzoate
PubChem CID109116763
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Nameethyl 2-[[6-(4-ethylpiperazine-1-carbonyl)pyridazin-3-yl]amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1ccc(C(=O)N2CCN(CC)CC2)nn1
InChIInChI=1S/C20H25N5O3/c1-3-24-11-13-25(14-12-24)19(26)17-9-10-18(23-22-17)21-16-8-6-5-7-15(16)20(27)28-4-2/h5-10H,3-4,11-14H2,1-2H3,(H,21,23)
InChIKeyWXHYQMWVFYARHU-UHFFFAOYSA-N
XLogP2.17
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[6-(2-methylanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate
CID 109123868
ethyl 4-[6-(2-fluoroanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate
CID 109123887
[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109116727
ethyl 2-[[6-[methyl(phenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109127291
ethyl 2-[[6-(cyclopropylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109110175
(4-ethylpiperazin-1-yl)-[6-(3-methylanilino)pyridazin-3-yl]methanone
CID 109116683
1-[4-[6-(2-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
CID 109117262
ethyl 2-[[6-[(4-methylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109127135
ethyl 2-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]amino]benzoate
CID 109017613
ethyl 2-[[3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108961005
ethyl 2-[[2-(4-acetylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzoate
CID 109209133
methyl 2-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzoate
CID 109208518

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[6-(4-ethylpiperazine-1-carbonyl)pyridazin-3-yl]amino]benzoate?
The IUPAC name of ethyl 2-[[6-(4-ethylpiperazine-1-carbonyl)pyridazin-3-yl]amino]benzoate (CID 109116763) is ethyl 2-[[6-(4-ethylpiperazine-1-carbonyl)pyridazin-3-yl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[6-(4-ethylpiperazine-1-carbonyl)pyridazin-3-yl]amino]benzoate?
The canonical SMILES for ethyl 2-[[6-(4-ethylpiperazine-1-carbonyl)pyridazin-3-yl]amino]benzoate is CCOC(=O)c1ccccc1Nc1ccc(C(=O)N2CCN(CC)CC2)nn1.
What is the InChIKey of ethyl 2-[[6-(4-ethylpiperazine-1-carbonyl)pyridazin-3-yl]amino]benzoate?
The InChIKey is WXHYQMWVFYARHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-3-24-11-13-25(14-12-24)19(26)17-9-10-18(23-22-17)21-16-8-6-5-7-15(16)20(27)28-4-2/h5-10H,3-4,11-14H2,1-2H3,(H,21,23).
What are the key properties of ethyl 2-[[6-(4-ethylpiperazine-1-carbonyl)pyridazin-3-yl]amino]benzoate?
ethyl 2-[[6-(4-ethylpiperazine-1-carbonyl)pyridazin-3-yl]amino]benzoate has a molecular weight of 383.45 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[6-(4-ethylpiperazine-1-carbonyl)pyridazin-3-yl]amino]benzoate is sourced from PubChem (CID 109116763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).