methyl 2-[[6-[(4-ethylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate

C21H20N4O3 — CID 109128007

IUPACmethyl 2-[[6-[(4-ethylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
SMILESCCc1ccc(NC(=O)c2ccc(Nc3ccccc3C(=O)OC)nn2)cc1
InChIInChI=1S/C21H20N4O3/c1-3-14-8-10-15(11-9-14)22-20(26)18-12-13-19(25-24-18)23-17-7-5-4-6-16(17)21(27)28-2/h4-13H,3H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyFVBGOZUYZWWGHL-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.82
Rot. Bonds6

About methyl 2-[[6-[(4-ethylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate

methyl 2-[[6-[(4-ethylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate (PubChem CID 109128007) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is methyl 2-[[6-[(4-ethylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[6-[(4-ethylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
PubChem CID109128007
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Namemethyl 2-[[6-[(4-ethylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
SMILESCCc1ccc(NC(=O)c2ccc(Nc3ccccc3C(=O)OC)nn2)cc1
InChIInChI=1S/C21H20N4O3/c1-3-14-8-10-15(11-9-14)22-20(26)18-12-13-19(25-24-18)23-17-7-5-4-6-16(17)21(27)28-2/h4-13H,3H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyFVBGOZUYZWWGHL-UHFFFAOYSA-N
XLogP3.82
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[6-[(4-ethylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate with MolForge

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Related Compounds

6-(4-ethylanilino)-N-phenylpyridazine-3-carboxamide
CID 109126657
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
methyl 2-[[6-[(3-chlorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128709
N-(2-ethoxyphenyl)-6-(4-ethylanilino)pyridazine-3-carboxamide
CID 109127965
6-(2,6-difluoroanilino)-N-(4-ethylphenyl)pyridazine-3-carboxamide
CID 109128021
N-(4-ethylphenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62248142
methyl 2-[[6-[2-(4-fluorophenyl)ethylcarbamoyl]pyridazin-3-yl]amino]benzoate
CID 109122187
ethyl 4-[[6-(4-ethylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109127983
N-[4-(dimethylamino)phenyl]-6-(4-ethylanilino)pyridazine-3-carboxamide
CID 109127978
methyl 2-[[6-(4-ethylanilino)pyrimidin-4-yl]amino]benzoate
CID 112865413
ethyl 2-[[6-[(3-chlorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128721

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-[(4-ethylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate?
The IUPAC name of methyl 2-[[6-[(4-ethylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate (CID 109128007) is methyl 2-[[6-[(4-ethylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate.
What is the SMILES notation for methyl 2-[[6-[(4-ethylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate?
The canonical SMILES for methyl 2-[[6-[(4-ethylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate is CCc1ccc(NC(=O)c2ccc(Nc3ccccc3C(=O)OC)nn2)cc1.
What is the InChIKey of methyl 2-[[6-[(4-ethylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate?
The InChIKey is FVBGOZUYZWWGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-3-14-8-10-15(11-9-14)22-20(26)18-12-13-19(25-24-18)23-17-7-5-4-6-16(17)21(27)28-2/h4-13H,3H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of methyl 2-[[6-[(4-ethylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate?
methyl 2-[[6-[(4-ethylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate has a molecular weight of 376.42 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-[(4-ethylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate is sourced from PubChem (CID 109128007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).