methyl 4-[[2-oxo-2-(pyridin-2-ylamino)acetyl]amino]benzoate

C15H13N3O4 — CID 108525910

IUPACmethyl 4-[[2-oxo-2-(pyridin-2-ylamino)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C(=O)Nc2ccccn2)cc1
InChIInChI=1S/C15H13N3O4/c1-22-15(21)10-5-7-11(8-6-10)17-13(19)14(20)18-12-4-2-3-9-16-12/h2-9H,1H3,(H,17,19)(H,16,18,20)
InChIKeyGSEOFIFKIWLEKA-UHFFFAOYSA-N
MW299.29 g/mol
LogP1.45
Rot. Bonds3

About methyl 4-[[2-oxo-2-(pyridin-2-ylamino)acetyl]amino]benzoate

methyl 4-[[2-oxo-2-(pyridin-2-ylamino)acetyl]amino]benzoate (PubChem CID 108525910) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is methyl 4-[[2-oxo-2-(pyridin-2-ylamino)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-oxo-2-(pyridin-2-ylamino)acetyl]amino]benzoate
PubChem CID108525910
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC Namemethyl 4-[[2-oxo-2-(pyridin-2-ylamino)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C(=O)Nc2ccccn2)cc1
InChIInChI=1S/C15H13N3O4/c1-22-15(21)10-5-7-11(8-6-10)17-13(19)14(20)18-12-4-2-3-9-16-12/h2-9H,1H3,(H,17,19)(H,16,18,20)
InChIKeyGSEOFIFKIWLEKA-UHFFFAOYSA-N
XLogP1.45
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(pyridin-2-ylcarbamothioylamino)benzoate
CID 726295
N-(4-tert-butylphenyl)-N'-pyridin-2-yloxamide
CID 108525928
methyl 4-[[6-(pyridin-2-ylcarbamoyl)cyclohex-3-ene-1-carbonyl]amino]benzoate
CID 18873802
methyl 4-[[2-oxo-2-(4-phenoxyanilino)acetyl]amino]benzoate
CID 44999634
methyl 4-[[2-(4-fluoroanilino)-2-oxoacetyl]amino]benzoate
CID 44999647
ethyl 4-[[2-oxo-2-(pyridin-2-ylamino)ethyl]amino]benzoate
CID 156597569
N-(4-methoxyphenyl)-N'-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]oxamide
CID 5033190
methyl 4-[[4-methoxy-2-(pyridin-2-ylcarbamoyl)phenyl]carbamoyl]benzoate
CID 90266337
N-(2-hydroxypropyl)-N'-pyridin-2-yloxamide
CID 44999298
1-(4-ethylphenyl)-3-pyridin-2-ylurea
CID 6469550
methyl 4-[[2-(pyridin-2-ylmethylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109258769
methyl 4-[(2,3-dipyridin-2-ylquinoxaline-6-carbonyl)amino]benzoate
CID 1330020

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-oxo-2-(pyridin-2-ylamino)acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-oxo-2-(pyridin-2-ylamino)acetyl]amino]benzoate (CID 108525910) is methyl 4-[[2-oxo-2-(pyridin-2-ylamino)acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-oxo-2-(pyridin-2-ylamino)acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-oxo-2-(pyridin-2-ylamino)acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)C(=O)Nc2ccccn2)cc1.
What is the InChIKey of methyl 4-[[2-oxo-2-(pyridin-2-ylamino)acetyl]amino]benzoate?
The InChIKey is GSEOFIFKIWLEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c1-22-15(21)10-5-7-11(8-6-10)17-13(19)14(20)18-12-4-2-3-9-16-12/h2-9H,1H3,(H,17,19)(H,16,18,20).
What are the key properties of methyl 4-[[2-oxo-2-(pyridin-2-ylamino)acetyl]amino]benzoate?
methyl 4-[[2-oxo-2-(pyridin-2-ylamino)acetyl]amino]benzoate has a molecular weight of 299.29 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-oxo-2-(pyridin-2-ylamino)acetyl]amino]benzoate is sourced from PubChem (CID 108525910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).