methyl 4-chloro-3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoate

C13H12ClN3O4 — CID 60630600

IUPACmethyl 4-chloro-3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)C2=NNC(=O)CC2)c1
InChIInChI=1S/C13H12ClN3O4/c1-21-13(20)7-2-3-8(14)10(6-7)15-12(19)9-4-5-11(18)17-16-9/h2-3,6H,4-5H2,1H3,(H,15,19)(H,17,18)
InChIKeyXLTUEQMBYJOMSF-UHFFFAOYSA-N
MW309.71 g/mol
LogP1.33
Rot. Bonds3

About methyl 4-chloro-3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoate

methyl 4-chloro-3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoate (PubChem CID 60630600) has the molecular formula C13H12ClN3O4 and a molecular weight of 309.71 g/mol. Its IUPAC name is methyl 4-chloro-3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoate
PubChem CID60630600
Molecular FormulaC13H12ClN3O4
Molecular Weight309.71 g/mol
Exact Mass309.05
IUPAC Namemethyl 4-chloro-3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)C2=NNC(=O)CC2)c1
InChIInChI=1S/C13H12ClN3O4/c1-21-13(20)7-2-3-8(14)10(6-7)15-12(19)9-4-5-11(18)17-16-9/h2-3,6H,4-5H2,1H3,(H,15,19)(H,17,18)
InChIKeyXLTUEQMBYJOMSF-UHFFFAOYSA-N
XLogP1.33
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.71
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-chloro-3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoate with MolForge

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Related Compounds

N-(5-carbamoyl-2-chlorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 61273727
methyl 4-chloro-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]benzoate
CID 110700432
methyl 4-chloro-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]benzoate
CID 110698334
methyl 4-chloro-3-[(3-methylimidazole-4-carbonyl)amino]benzoate
CID 110861825
methyl 3-[(2-bromofuran-3-carbonyl)amino]-4-chlorobenzoate
CID 106852836
methyl 4-chloro-3-(1,3-thiazole-4-carbonylamino)benzoate
CID 63049738
methyl 4-chloro-3-(pyrazine-2-carbonylamino)benzoate
CID 18084339
methyl 3-[(3-bromopyridine-2-carbonyl)amino]-4-chlorobenzoate
CID 107518080
methyl 4-chloro-3-[[5-(cyclopropylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109271897
methyl 3-[[3-carbamoyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-5-carbonyl]amino]-4-chlorobenzoate
CID 55561444
methyl 3-[(3-amino-4-methylbenzoyl)amino]-4-chlorobenzoate
CID 28723647
N-(3-chloro-4-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 4539970

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-chloro-3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoate (CID 60630600) is methyl 4-chloro-3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoate is COC(=O)c1ccc(Cl)c(NC(=O)C2=NNC(=O)CC2)c1.
What is the InChIKey of methyl 4-chloro-3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoate?
The InChIKey is XLTUEQMBYJOMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O4/c1-21-13(20)7-2-3-8(14)10(6-7)15-12(19)9-4-5-11(18)17-16-9/h2-3,6H,4-5H2,1H3,(H,15,19)(H,17,18).
What are the key properties of methyl 4-chloro-3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoate?
methyl 4-chloro-3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoate has a molecular weight of 309.71 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 60630600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).