methyl 2-amino-3-(pyrazine-2-carbonylamino)benzoate

C13H12N4O3 — CID 58552889

IUPACmethyl 2-amino-3-(pyrazine-2-carbonylamino)benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cnccn2)c1N
InChIInChI=1S/C13H12N4O3/c1-20-13(19)8-3-2-4-9(11(8)14)17-12(18)10-7-15-5-6-16-10/h2-7H,14H2,1H3,(H,17,18)
InChIKeyIAOQBNSLASXMIN-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.10
Rot. Bonds3

About methyl 2-amino-3-(pyrazine-2-carbonylamino)benzoate

methyl 2-amino-3-(pyrazine-2-carbonylamino)benzoate (PubChem CID 58552889) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is methyl 2-amino-3-(pyrazine-2-carbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(pyrazine-2-carbonylamino)benzoate
PubChem CID58552889
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Namemethyl 2-amino-3-(pyrazine-2-carbonylamino)benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cnccn2)c1N
InChIInChI=1S/C13H12N4O3/c1-20-13(19)8-3-2-4-9(11(8)14)17-12(18)10-7-15-5-6-16-10/h2-7H,14H2,1H3,(H,17,18)
InChIKeyIAOQBNSLASXMIN-UHFFFAOYSA-N
XLogP1.10
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 694797
methyl 3-(pyrazine-2-carbonylamino)benzoate
CID 862107
N-(2-sulfanylphenyl)pyrazine-2-carboxamide
CID 136757506
methyl 4-chloro-3-(pyrazine-2-carbonylamino)benzoate
CID 18084339
methyl 2-amino-3-[(2-phenylbenzoyl)amino]benzoate
CID 141290737
N-quinolin-8-ylpyrazine-2-carboxamide
CID 139088852
N-(1-methylbenzimidazol-4-yl)pyrazine-2-carboxamide
CID 175533892
N-(2-amino-4-chlorophenyl)pyrazine-2-carboxamide
CID 16777409
methyl 2-amino-3-[methyl(pyridin-3-yl)amino]benzoate
CID 113333029
N-[2-(prop-2-enylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 18155897
N-(4-aminophenyl)pyrazine-2-carboxamide
CID 16775114
N-(2-benzylphenyl)pyrazine-2-carboxamide
CID 1247505

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(pyrazine-2-carbonylamino)benzoate?
The IUPAC name of methyl 2-amino-3-(pyrazine-2-carbonylamino)benzoate (CID 58552889) is methyl 2-amino-3-(pyrazine-2-carbonylamino)benzoate.
What is the SMILES notation for methyl 2-amino-3-(pyrazine-2-carbonylamino)benzoate?
The canonical SMILES for methyl 2-amino-3-(pyrazine-2-carbonylamino)benzoate is COC(=O)c1cccc(NC(=O)c2cnccn2)c1N.
What is the InChIKey of methyl 2-amino-3-(pyrazine-2-carbonylamino)benzoate?
The InChIKey is IAOQBNSLASXMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c1-20-13(19)8-3-2-4-9(11(8)14)17-12(18)10-7-15-5-6-16-10/h2-7H,14H2,1H3,(H,17,18).
What are the key properties of methyl 2-amino-3-(pyrazine-2-carbonylamino)benzoate?
methyl 2-amino-3-(pyrazine-2-carbonylamino)benzoate has a molecular weight of 272.26 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(pyrazine-2-carbonylamino)benzoate is sourced from PubChem (CID 58552889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).