methyl 3-(pyrazine-2-carbonylamino)benzoate

C13H11N3O3 — CID 862107

IUPACmethyl 3-(pyrazine-2-carbonylamino)benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cnccn2)c1
InChIInChI=1S/C13H11N3O3/c1-19-13(18)9-3-2-4-10(7-9)16-12(17)11-8-14-5-6-15-11/h2-8H,1H3,(H,16,17)
InChIKeyPDKXMOXKXIUPFY-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.52
Rot. Bonds3

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

methyl 3-(pyrazine-2-carbonylamino)benzoate (PubChem CID 862107) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is methyl 3-(pyrazine-2-carbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 3-(pyrazine-2-carbonylamino)benzoate
PubChem CID862107
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Namemethyl 3-(pyrazine-2-carbonylamino)benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cnccn2)c1
InChIInChI=1S/C13H11N3O3/c1-19-13(18)9-3-2-4-10(7-9)16-12(17)11-8-14-5-6-15-11/h2-8H,1H3,(H,16,17)
InChIKeyPDKXMOXKXIUPFY-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

Analyze methyl 3-(pyrazine-2-carbonylamino)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-(pyrimidine-4-carbonylamino)benzoate
CID 110699213
methyl 3-[(4-methylpyridine-2-carbonyl)amino]benzoate
CID 110861657
methyl 3-[(5-chloropyrazine-2-carbonyl)amino]benzoate
CID 103817046
N-(3-bromophenyl)pyrazine-2-carboxamide
CID 139196935
methyl 3-[(5-bromopyridine-2-carbonyl)amino]benzoate
CID 62958863
methyl 4-chloro-3-(pyrazine-2-carbonylamino)benzoate
CID 18084339
N-(3-methylsulfanylphenyl)pyrazine-2-carboxamide
CID 695407
methyl 3-[[4-(4-acetylanilino)pyridine-2-carbonyl]amino]benzoate
CID 109222174
methyl 3-[[4-(3-chloroanilino)pyridine-2-carbonyl]amino]benzoate
CID 109220998
methyl 3-[[4-(3,5-dimethylanilino)pyridine-2-carbonyl]amino]benzoate
CID 109219979
methyl 3-[[2-[(4-fluorophenyl)carbamoyl]pyridine-4-carbonyl]amino]benzoate
CID 109092752
methyl 3-[[5-(4-chloroanilino)pyridine-2-carbonyl]amino]benzoate
CID 109199300

Frequently Asked Questions

What is the IUPAC name of methyl 3-(pyrazine-2-carbonylamino)benzoate?
The IUPAC name of methyl 3-(pyrazine-2-carbonylamino)benzoate (CID 862107) is methyl 3-(pyrazine-2-carbonylamino)benzoate.
What is the SMILES notation for methyl 3-(pyrazine-2-carbonylamino)benzoate?
The canonical SMILES for methyl 3-(pyrazine-2-carbonylamino)benzoate is COC(=O)c1cccc(NC(=O)c2cnccn2)c1.
What is the InChIKey of methyl 3-(pyrazine-2-carbonylamino)benzoate?
The InChIKey is PDKXMOXKXIUPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-19-13(18)9-3-2-4-10(7-9)16-12(17)11-8-14-5-6-15-11/h2-8H,1H3,(H,16,17).
What are the key properties of methyl 3-(pyrazine-2-carbonylamino)benzoate?
methyl 3-(pyrazine-2-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 3-(pyrazine-2-carbonylamino)benzoate is sourced from PubChem (CID 862107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).