methyl 4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate

C13H11N3O4 — CID 7185953

IUPACmethyl 4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(=O)[nH]n2)cc1
InChIInChI=1S/C13H11N3O4/c1-20-13(19)8-2-4-9(5-3-8)14-12(18)10-6-7-11(17)16-15-10/h2-7H,1H3,(H,14,18)(H,16,17)
InChIKeyJVHQOUVNSVKTQW-UHFFFAOYSA-N
MW273.25 g/mol
LogP0.81
Rot. Bonds3

About methyl 4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate

methyl 4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate (PubChem CID 7185953) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is methyl 4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate
PubChem CID7185953
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC Namemethyl 4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(=O)[nH]n2)cc1
InChIInChI=1S/C13H11N3O4/c1-20-13(19)8-2-4-9(5-3-8)14-12(18)10-6-7-11(17)16-15-10/h2-7H,1H3,(H,14,18)(H,16,17)
InChIKeyJVHQOUVNSVKTQW-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 3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate
CID 43404072
6-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridazine-3-carboxamide
CID 7185957
methyl 4-[(5-nitro-1H-pyrazole-3-carbonyl)amino]benzoate
CID 135408117
N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 121054133
methyl 4-[(6-chloropyridazine-3-carbonyl)amino]benzoate
CID 61041834
5-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzene-1,3-dicarboxylic acid
CID 108793532
N-[4-(2-bromoethyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 114040990
methyl 4-[(6-methylpyridine-2-carbonyl)amino]benzoate
CID 31703569
methyl 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoate
CID 43406982
methyl 4-[(1-methyl-5-oxo-4H-1,2,4-triazole-3-carbonyl)amino]benzoate
CID 136849882
methyl 4-[[6-[(4-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109198978
N-(6-ethoxy-3-pyridinyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103747377

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate (CID 7185953) is methyl 4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2ccc(=O)[nH]n2)cc1.
What is the InChIKey of methyl 4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate?
The InChIKey is JVHQOUVNSVKTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c1-20-13(19)8-2-4-9(5-3-8)14-12(18)10-6-7-11(17)16-15-10/h2-7H,1H3,(H,14,18)(H,16,17).
What are the key properties of methyl 4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate?
methyl 4-[(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 4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 7185953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).