methyl 5-(2-cyanoanilino)pyrazine-2-carboxylate

C13H10N4O2 — CID 114059701

IUPACmethyl 5-(2-cyanoanilino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(Nc2ccccc2C#N)cn1
InChIInChI=1S/C13H10N4O2/c1-19-13(18)11-7-16-12(8-15-11)17-10-5-3-2-4-9(10)6-14/h2-5,7-8H,1H3,(H,16,17)
InChIKeyYARRJLHVQKOKPG-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.88
Rot. Bonds3

About methyl 5-(2-cyanoanilino)pyrazine-2-carboxylate

methyl 5-(2-cyanoanilino)pyrazine-2-carboxylate (PubChem CID 114059701) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is methyl 5-(2-cyanoanilino)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-cyanoanilino)pyrazine-2-carboxylate
PubChem CID114059701
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Namemethyl 5-(2-cyanoanilino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(Nc2ccccc2C#N)cn1
InChIInChI=1S/C13H10N4O2/c1-19-13(18)11-7-16-12(8-15-11)17-10-5-3-2-4-9(10)6-14/h2-5,7-8H,1H3,(H,16,17)
InChIKeyYARRJLHVQKOKPG-UHFFFAOYSA-N
XLogP1.88
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-cyanoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide
CID 109294656
N-(4-acetamidophenyl)-5-(2-cyanoanilino)pyrazine-2-carboxamide
CID 109294144
5-(2-cyanoanilino)-N-(4-cyanophenyl)pyrazine-2-carboxamide
CID 109294665
5-(2-cyanoanilino)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 109293739
N-(2-cyanophenyl)-5-(2-ethylanilino)pyrazine-2-carboxamide
CID 109291580
5-(2-bromoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide
CID 109294390
N-(2-cyanophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109293558
N-(2-cyanophenyl)-5-(2,5-dimethylanilino)pyrazine-2-carboxamide
CID 109290955
methyl 4-[[6-(2-cyanoanilino)pyrimidin-4-yl]amino]benzoate
CID 112866857
5-(2-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrazine-2-carboxamide
CID 109285381
5-(2-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide
CID 109285229
methyl 3-[[5-(2-cyanoanilino)pyridine-2-carbonyl]amino]benzoate
CID 109200498

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-cyanoanilino)pyrazine-2-carboxylate?
The IUPAC name of methyl 5-(2-cyanoanilino)pyrazine-2-carboxylate (CID 114059701) is methyl 5-(2-cyanoanilino)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-(2-cyanoanilino)pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-(2-cyanoanilino)pyrazine-2-carboxylate is COC(=O)c1cnc(Nc2ccccc2C#N)cn1.
What is the InChIKey of methyl 5-(2-cyanoanilino)pyrazine-2-carboxylate?
The InChIKey is YARRJLHVQKOKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c1-19-13(18)11-7-16-12(8-15-11)17-10-5-3-2-4-9(10)6-14/h2-5,7-8H,1H3,(H,16,17).
What are the key properties of methyl 5-(2-cyanoanilino)pyrazine-2-carboxylate?
methyl 5-(2-cyanoanilino)pyrazine-2-carboxylate has a molecular weight of 254.25 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-cyanoanilino)pyrazine-2-carboxylate is sourced from PubChem (CID 114059701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).