ethyl 2-[[6-[methyl(phenyl)carbamoyl]pyridazin-3-yl]amino]benzoate

C21H20N4O3 — CID 109127291

IUPACethyl 2-[[6-[methyl(phenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1ccc(C(=O)N(C)c2ccccc2)nn1
InChIInChI=1S/C21H20N4O3/c1-3-28-21(27)16-11-7-8-12-17(16)22-19-14-13-18(23-24-19)20(26)25(2)15-9-5-4-6-10-15/h4-14H,3H2,1-2H3,(H,22,24)
InChIKeyQZJQQZPGQCIABI-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.67
Rot. Bonds6

About ethyl 2-[[6-[methyl(phenyl)carbamoyl]pyridazin-3-yl]amino]benzoate

ethyl 2-[[6-[methyl(phenyl)carbamoyl]pyridazin-3-yl]amino]benzoate (PubChem CID 109127291) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is ethyl 2-[[6-[methyl(phenyl)carbamoyl]pyridazin-3-yl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[6-[methyl(phenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
PubChem CID109127291
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Nameethyl 2-[[6-[methyl(phenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1ccc(C(=O)N(C)c2ccccc2)nn1
InChIInChI=1S/C21H20N4O3/c1-3-28-21(27)16-11-7-8-12-17(16)22-19-14-13-18(23-24-19)20(26)25(2)15-9-5-4-6-10-15/h4-14H,3H2,1-2H3,(H,22,24)
InChIKeyQZJQQZPGQCIABI-UHFFFAOYSA-N
XLogP3.67
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[[4-[methyl(phenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109314366
6-(2-bromoanilino)-N-methyl-N-phenylpyridazine-3-carboxamide
CID 109127277
ethyl 2-[[6-(cyclopropylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109110175
ethyl 2-[[6-(dimethylsulfamoylamino)pyridazin-3-yl]amino]benzoate
CID 113051086
ethyl 2-[[6-[(4-methylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109127135
ethyl 2-[[6-(4-ethylpiperazine-1-carbonyl)pyridazin-3-yl]amino]benzoate
CID 109116763
ethyl 2-[[3-(N-methylanilino)-1,2,4-triazin-5-yl]amino]benzoate
CID 112962552
6-(4-bromo-2-methylanilino)-N-methyl-N-phenylpyridazine-3-carboxamide
CID 109127280
ethyl 2-[[6-[(4-fluorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128564
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate
CID 2706272
ethyl 2-[[6-[(3-chlorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128721
N-methyl-6-(2-morpholin-4-ylanilino)-N-phenylpyridazine-3-carboxamide
CID 109127275

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[6-[methyl(phenyl)carbamoyl]pyridazin-3-yl]amino]benzoate?
The IUPAC name of ethyl 2-[[6-[methyl(phenyl)carbamoyl]pyridazin-3-yl]amino]benzoate (CID 109127291) is ethyl 2-[[6-[methyl(phenyl)carbamoyl]pyridazin-3-yl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[6-[methyl(phenyl)carbamoyl]pyridazin-3-yl]amino]benzoate?
The canonical SMILES for ethyl 2-[[6-[methyl(phenyl)carbamoyl]pyridazin-3-yl]amino]benzoate is CCOC(=O)c1ccccc1Nc1ccc(C(=O)N(C)c2ccccc2)nn1.
What is the InChIKey of ethyl 2-[[6-[methyl(phenyl)carbamoyl]pyridazin-3-yl]amino]benzoate?
The InChIKey is QZJQQZPGQCIABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-3-28-21(27)16-11-7-8-12-17(16)22-19-14-13-18(23-24-19)20(26)25(2)15-9-5-4-6-10-15/h4-14H,3H2,1-2H3,(H,22,24).
What are the key properties of ethyl 2-[[6-[methyl(phenyl)carbamoyl]pyridazin-3-yl]amino]benzoate?
ethyl 2-[[6-[methyl(phenyl)carbamoyl]pyridazin-3-yl]amino]benzoate has a molecular weight of 376.42 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[6-[methyl(phenyl)carbamoyl]pyridazin-3-yl]amino]benzoate is sourced from PubChem (CID 109127291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).