methyl 4-[[6-[[2-(3-methylphenyl)acetyl]amino]pyridazin-3-yl]amino]benzoate

C21H20N4O3 — CID 113049498

IUPACmethyl 4-[[6-[[2-(3-methylphenyl)acetyl]amino]pyridazin-3-yl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2ccc(NC(=O)Cc3cccc(C)c3)nn2)cc1
InChIInChI=1S/C21H20N4O3/c1-14-4-3-5-15(12-14)13-20(26)23-19-11-10-18(24-25-19)22-17-8-6-16(7-9-17)21(27)28-2/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25,26)
InChIKeyUYZMGAMUPZZMDS-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.50
Rot. Bonds6

About methyl 4-[[6-[[2-(3-methylphenyl)acetyl]amino]pyridazin-3-yl]amino]benzoate

methyl 4-[[6-[[2-(3-methylphenyl)acetyl]amino]pyridazin-3-yl]amino]benzoate (PubChem CID 113049498) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is methyl 4-[[6-[[2-(3-methylphenyl)acetyl]amino]pyridazin-3-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[6-[[2-(3-methylphenyl)acetyl]amino]pyridazin-3-yl]amino]benzoate
PubChem CID113049498
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Namemethyl 4-[[6-[[2-(3-methylphenyl)acetyl]amino]pyridazin-3-yl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2ccc(NC(=O)Cc3cccc(C)c3)nn2)cc1
InChIInChI=1S/C21H20N4O3/c1-14-4-3-5-15(12-14)13-20(26)23-19-11-10-18(24-25-19)22-17-8-6-16(7-9-17)21(27)28-2/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25,26)
InChIKeyUYZMGAMUPZZMDS-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

methyl 4-[[6-[[2-(4-methylphenyl)acetyl]amino]pyridazin-3-yl]amino]benzoate
CID 113049499
methyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate
CID 6466904
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide
CID 113047565
methyl 4-[[6-[[2-(2-methylphenyl)acetyl]amino]pyridazin-3-yl]amino]benzoate
CID 113049497
N-[6-(3-fluoroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide
CID 113049983
methyl 4-[[6-(butanoylamino)pyridazin-3-yl]amino]benzoate
CID 113049458
ethyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate
CID 113098824
N-[6-(4-methoxyanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113019533
N-[6-(4-ethylanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113017495
methyl 4-[[6-methyl-2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]amino]benzoate
CID 112916305
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2-(3-methylphenyl)acetamide
CID 122292474
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113020115

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[6-[[2-(3-methylphenyl)acetyl]amino]pyridazin-3-yl]amino]benzoate?
The IUPAC name of methyl 4-[[6-[[2-(3-methylphenyl)acetyl]amino]pyridazin-3-yl]amino]benzoate (CID 113049498) is methyl 4-[[6-[[2-(3-methylphenyl)acetyl]amino]pyridazin-3-yl]amino]benzoate.
What is the SMILES notation for methyl 4-[[6-[[2-(3-methylphenyl)acetyl]amino]pyridazin-3-yl]amino]benzoate?
The canonical SMILES for methyl 4-[[6-[[2-(3-methylphenyl)acetyl]amino]pyridazin-3-yl]amino]benzoate is COC(=O)c1ccc(Nc2ccc(NC(=O)Cc3cccc(C)c3)nn2)cc1.
What is the InChIKey of methyl 4-[[6-[[2-(3-methylphenyl)acetyl]amino]pyridazin-3-yl]amino]benzoate?
The InChIKey is UYZMGAMUPZZMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-14-4-3-5-15(12-14)13-20(26)23-19-11-10-18(24-25-19)22-17-8-6-16(7-9-17)21(27)28-2/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25,26).
What are the key properties of methyl 4-[[6-[[2-(3-methylphenyl)acetyl]amino]pyridazin-3-yl]amino]benzoate?
methyl 4-[[6-[[2-(3-methylphenyl)acetyl]amino]pyridazin-3-yl]amino]benzoate has a molecular weight of 376.42 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[6-[[2-(3-methylphenyl)acetyl]amino]pyridazin-3-yl]amino]benzoate is sourced from PubChem (CID 113049498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).