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

C20H18N4O4 — CID 113049352

IUPACmethyl 2-[[6-[(4-methoxybenzoyl)amino]pyridazin-3-yl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1ccc(NC(=O)c2ccc(OC)cc2)nn1
InChIInChI=1S/C20H18N4O4/c1-27-14-9-7-13(8-10-14)19(25)22-18-12-11-17(23-24-18)21-16-6-4-3-5-15(16)20(26)28-2/h3-12H,1-2H3,(H,21,23)(H,22,24,25)
InChIKeyHOEOPJKWGOJDGF-UHFFFAOYSA-N
MW378.39 g/mol
LogP3.27
Rot. Bonds6

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

methyl 2-[[6-[(4-methoxybenzoyl)amino]pyridazin-3-yl]amino]benzoate (PubChem CID 113049352) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is methyl 2-[[6-[(4-methoxybenzoyl)amino]pyridazin-3-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[6-[(4-methoxybenzoyl)amino]pyridazin-3-yl]amino]benzoate
PubChem CID113049352
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC Namemethyl 2-[[6-[(4-methoxybenzoyl)amino]pyridazin-3-yl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1ccc(NC(=O)c2ccc(OC)cc2)nn1
InChIInChI=1S/C20H18N4O4/c1-27-14-9-7-13(8-10-14)19(25)22-18-12-11-17(23-24-18)21-16-6-4-3-5-15(16)20(26)28-2/h3-12H,1-2H3,(H,21,23)(H,22,24,25)
InChIKeyHOEOPJKWGOJDGF-UHFFFAOYSA-N
XLogP3.27
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-[6-(2-bromoanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113050053
N-[6-(2-ethylanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113046649
4-methoxy-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]benzamide
CID 113046923
N-(6-anilinopyridazin-3-yl)-4-methoxybenzamide
CID 113045480
methyl 2-[[6-[(2-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate
CID 113049347
ethyl 2-[[6-[(4-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate
CID 113051053
N-[6-(4-acetylanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113049142
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113049288
methyl 2-[[5-[(3-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109163985
4-methoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide
CID 113051725
methyl 2-[[5-[(2-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109163904
3-methoxy-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide
CID 113045604

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-[(4-methoxybenzoyl)amino]pyridazin-3-yl]amino]benzoate?
The IUPAC name of methyl 2-[[6-[(4-methoxybenzoyl)amino]pyridazin-3-yl]amino]benzoate (CID 113049352) is methyl 2-[[6-[(4-methoxybenzoyl)amino]pyridazin-3-yl]amino]benzoate.
What is the SMILES notation for methyl 2-[[6-[(4-methoxybenzoyl)amino]pyridazin-3-yl]amino]benzoate?
The canonical SMILES for methyl 2-[[6-[(4-methoxybenzoyl)amino]pyridazin-3-yl]amino]benzoate is COC(=O)c1ccccc1Nc1ccc(NC(=O)c2ccc(OC)cc2)nn1.
What is the InChIKey of methyl 2-[[6-[(4-methoxybenzoyl)amino]pyridazin-3-yl]amino]benzoate?
The InChIKey is HOEOPJKWGOJDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4/c1-27-14-9-7-13(8-10-14)19(25)22-18-12-11-17(23-24-18)21-16-6-4-3-5-15(16)20(26)28-2/h3-12H,1-2H3,(H,21,23)(H,22,24,25).
What are the key properties of methyl 2-[[6-[(4-methoxybenzoyl)amino]pyridazin-3-yl]amino]benzoate?
methyl 2-[[6-[(4-methoxybenzoyl)amino]pyridazin-3-yl]amino]benzoate has a molecular weight of 378.39 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-[(4-methoxybenzoyl)amino]pyridazin-3-yl]amino]benzoate is sourced from PubChem (CID 113049352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).