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

C20H18N4O4 — CID 113049413

IUPACmethyl 3-[[6-[(2-methoxybenzoyl)amino]pyridazin-3-yl]amino]benzoate
SMILESCOC(=O)c1cccc(Nc2ccc(NC(=O)c3ccccc3OC)nn2)c1
InChIInChI=1S/C20H18N4O4/c1-27-16-9-4-3-8-15(16)19(25)22-18-11-10-17(23-24-18)21-14-7-5-6-13(12-14)20(26)28-2/h3-12H,1-2H3,(H,21,23)(H,22,24,25)
InChIKeyAPVNZDBQMKJLKO-UHFFFAOYSA-N
MW378.39 g/mol
LogP3.27
Rot. Bonds6

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

methyl 3-[[6-[(2-methoxybenzoyl)amino]pyridazin-3-yl]amino]benzoate (PubChem CID 113049413) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is methyl 3-[[6-[(2-methoxybenzoyl)amino]pyridazin-3-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[6-[(2-methoxybenzoyl)amino]pyridazin-3-yl]amino]benzoate
PubChem CID113049413
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC Namemethyl 3-[[6-[(2-methoxybenzoyl)amino]pyridazin-3-yl]amino]benzoate
SMILESCOC(=O)c1cccc(Nc2ccc(NC(=O)c3ccccc3OC)nn2)c1
InChIInChI=1S/C20H18N4O4/c1-27-16-9-4-3-8-15(16)19(25)22-18-11-10-17(23-24-18)21-14-7-5-6-13(12-14)20(26)28-2/h3-12H,1-2H3,(H,21,23)(H,22,24,25)
InChIKeyAPVNZDBQMKJLKO-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 3-[[6-[(2-methoxybenzoyl)amino]pyridazin-3-yl]amino]benzoate with MolForge

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Related Compounds

N-[6-(3,5-dichloroanilino)pyridazin-3-yl]-2-methoxybenzamide
CID 113050853
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methoxybenzamide
CID 113047536
methyl 3-[[6-(phenylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109126698
methyl 3-[[6-(2,2-dimethylpropanoylamino)pyridazin-3-yl]amino]benzoate
CID 113049402
N-[6-(3-acetylanilino)-3-pyridinyl]-2-methoxybenzamide
CID 113020316
N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]benzamide
CID 113048865
methyl 3-[[6-[(4-chlorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128785
methyl 3-[[6-(cyclobutanecarbonylamino)pyridazin-3-yl]amino]benzoate
CID 113049442
methyl 3-[[6-(3-acetylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109129789
methyl 3-[[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate
CID 113035339
methyl 3-[[6-(4-chloroanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109128748
methyl 3-[[6-[(2,4-dimethylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109127560

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[6-[(2-methoxybenzoyl)amino]pyridazin-3-yl]amino]benzoate?
The IUPAC name of methyl 3-[[6-[(2-methoxybenzoyl)amino]pyridazin-3-yl]amino]benzoate (CID 113049413) is methyl 3-[[6-[(2-methoxybenzoyl)amino]pyridazin-3-yl]amino]benzoate.
What is the SMILES notation for methyl 3-[[6-[(2-methoxybenzoyl)amino]pyridazin-3-yl]amino]benzoate?
The canonical SMILES for methyl 3-[[6-[(2-methoxybenzoyl)amino]pyridazin-3-yl]amino]benzoate is COC(=O)c1cccc(Nc2ccc(NC(=O)c3ccccc3OC)nn2)c1.
What is the InChIKey of methyl 3-[[6-[(2-methoxybenzoyl)amino]pyridazin-3-yl]amino]benzoate?
The InChIKey is APVNZDBQMKJLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4/c1-27-16-9-4-3-8-15(16)19(25)22-18-11-10-17(23-24-18)21-14-7-5-6-13(12-14)20(26)28-2/h3-12H,1-2H3,(H,21,23)(H,22,24,25).
What are the key properties of methyl 3-[[6-[(2-methoxybenzoyl)amino]pyridazin-3-yl]amino]benzoate?
methyl 3-[[6-[(2-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 3-[[6-[(2-methoxybenzoyl)amino]pyridazin-3-yl]amino]benzoate is sourced from PubChem (CID 113049413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).