methyl 2-(pyridazine-4-carbonylamino)benzoate

C13H11N3O3 — CID 112706538

IUPACmethyl 2-(pyridazine-4-carbonylamino)benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccnnc1
InChIInChI=1S/C13H11N3O3/c1-19-13(18)10-4-2-3-5-11(10)16-12(17)9-6-7-14-15-8-9/h2-8H,1H3,(H,16,17)
InChIKeyBAORQOGNQSJEEH-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.52
Rot. Bonds3

About methyl 2-(pyridazine-4-carbonylamino)benzoate

methyl 2-(pyridazine-4-carbonylamino)benzoate (PubChem CID 112706538) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is methyl 2-(pyridazine-4-carbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-(pyridazine-4-carbonylamino)benzoate
PubChem CID112706538
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Namemethyl 2-(pyridazine-4-carbonylamino)benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccnnc1
InChIInChI=1S/C13H11N3O3/c1-19-13(18)10-4-2-3-5-11(10)16-12(17)9-6-7-14-15-8-9/h2-8H,1H3,(H,16,17)
InChIKeyBAORQOGNQSJEEH-UHFFFAOYSA-N
XLogP1.52
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(6-chloropyridine-3-carbonyl)amino]benzoate
CID 18273877
methyl 2-[(1-methylpyrazole-4-carbonyl)amino]benzoate
CID 43408015
methyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049254
methyl 2-[[2-(propan-2-ylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109247207
methyl 2-[[4-[(2-methylphenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate
CID 109091033
methyl 2-[(3-iodobenzoyl)amino]benzoate
CID 1019242
2-[2-(pyridazine-4-carbonylamino)phenyl]acetic acid
CID 112555123
methyl 2-[[4-(1-bromoethyl)benzoyl]amino]benzoate
CID 21244031
methyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate
CID 4051547
methyl 2-[(2-bromopyridine-3-carbonyl)amino]benzoate
CID 103754028
methyl 2-[[2-(piperidine-1-carbonyl)pyridine-4-carbonyl]amino]benzoate
CID 109081318
methyl 2-[[2-(cycloheptylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109089488

Frequently Asked Questions

What is the IUPAC name of methyl 2-(pyridazine-4-carbonylamino)benzoate?
The IUPAC name of methyl 2-(pyridazine-4-carbonylamino)benzoate (CID 112706538) is methyl 2-(pyridazine-4-carbonylamino)benzoate.
What is the SMILES notation for methyl 2-(pyridazine-4-carbonylamino)benzoate?
The canonical SMILES for methyl 2-(pyridazine-4-carbonylamino)benzoate is COC(=O)c1ccccc1NC(=O)c1ccnnc1.
What is the InChIKey of methyl 2-(pyridazine-4-carbonylamino)benzoate?
The InChIKey is BAORQOGNQSJEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-19-13(18)10-4-2-3-5-11(10)16-12(17)9-6-7-14-15-8-9/h2-8H,1H3,(H,16,17).
What are the key properties of methyl 2-(pyridazine-4-carbonylamino)benzoate?
methyl 2-(pyridazine-4-carbonylamino)benzoate has a molecular weight of 257.25 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(pyridazine-4-carbonylamino)benzoate is sourced from PubChem (CID 112706538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).