methyl 3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate

C13H11N3O4 — CID 43404072

IUPACmethyl 3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc(=O)[nH]n2)c1
InChIInChI=1S/C13H11N3O4/c1-20-13(19)8-3-2-4-9(7-8)14-12(18)10-5-6-11(17)16-15-10/h2-7H,1H3,(H,14,18)(H,16,17)
InChIKeyZDLNLIJQMOYCOF-UHFFFAOYSA-N
MW273.25 g/mol
LogP0.81
Rot. Bonds3

About methyl 3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate

methyl 3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate (PubChem CID 43404072) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is methyl 3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate
PubChem CID43404072
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC Namemethyl 3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc(=O)[nH]n2)c1
InChIInChI=1S/C13H11N3O4/c1-20-13(19)8-3-2-4-9(7-8)14-12(18)10-5-6-11(17)16-15-10/h2-7H,1H3,(H,14,18)(H,16,17)
InChIKeyZDLNLIJQMOYCOF-UHFFFAOYSA-N
XLogP0.81
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate
CID 7185953
N-(3-ethylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 32736896
6-oxo-N-(3-phenoxyphenyl)-1H-pyridazine-3-carboxamide
CID 86975908
methyl 3-[(5-bromopyridine-2-carbonyl)amino]benzoate
CID 62958863
methyl 3-(pyrimidine-4-carbonylamino)benzoate
CID 110699213
methyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate
CID 115496994
methyl 3-(pyrazine-2-carbonylamino)benzoate
CID 862107
methyl 3-[(4-methylpyridine-2-carbonyl)amino]benzoate
CID 110861657
methyl 3-[(5-chloropyrazine-2-carbonyl)amino]benzoate
CID 103817046
methyl 3-[[6-(tert-butylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109099195
methyl 3-[[6-(3-acetylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109129789
methyl 3-[[5-(4-chloroanilino)pyridine-2-carbonyl]amino]benzoate
CID 109199300

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate (CID 43404072) is methyl 3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate is COC(=O)c1cccc(NC(=O)c2ccc(=O)[nH]n2)c1.
What is the InChIKey of methyl 3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate?
The InChIKey is ZDLNLIJQMOYCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c1-20-13(19)8-3-2-4-9(7-8)14-12(18)10-5-6-11(17)16-15-10/h2-7H,1H3,(H,14,18)(H,16,17).
What are the key properties of methyl 3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate?
methyl 3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate has a molecular weight of 273.25 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 43404072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).