5-(2-cyanoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide

C19H12N6O — CID 109294656

IUPAC5-(2-cyanoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1cnc(Nc2ccccc2C#N)cn1
InChIInChI=1S/C19H12N6O/c20-9-13-5-1-3-7-15(13)24-18-12-22-17(11-23-18)19(26)25-16-8-4-2-6-14(16)10-21/h1-8,11-12H,(H,23,24)(H,25,26)
InChIKeyJIYYJSISVKHXMB-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.22
Rot. Bonds4

About 5-(2-cyanoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide

5-(2-cyanoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide (PubChem CID 109294656) has the molecular formula C19H12N6O and a molecular weight of 340.35 g/mol. Its IUPAC name is 5-(2-cyanoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-cyanoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide
PubChem CID109294656
Molecular FormulaC19H12N6O
Molecular Weight340.35 g/mol
Exact Mass340.11
IUPAC Name5-(2-cyanoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1cnc(Nc2ccccc2C#N)cn1
InChIInChI=1S/C19H12N6O/c20-9-13-5-1-3-7-15(13)24-18-12-22-17(11-23-18)19(26)25-16-8-4-2-6-14(16)10-21/h1-8,11-12H,(H,23,24)(H,25,26)
InChIKeyJIYYJSISVKHXMB-UHFFFAOYSA-N
XLogP3.22
TPSA114.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-bromoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide
CID 109294390
N-(2-cyanophenyl)-5-(2-ethylanilino)pyrazine-2-carboxamide
CID 109291580
5-(2-cyanoanilino)-N-(4-cyanophenyl)pyrazine-2-carboxamide
CID 109294665
N-(4-acetamidophenyl)-5-(2-cyanoanilino)pyrazine-2-carboxamide
CID 109294144
N-(2-cyanophenyl)-5-(2,5-dimethylanilino)pyrazine-2-carboxamide
CID 109290955
N-(2-cyanophenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide
CID 109294662
N-(2-cyanophenyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109271145
methyl 5-(2-cyanoanilino)pyrazine-2-carboxylate
CID 114059701
5-(2-cyanoanilino)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 109293739
N-(2-cyanophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109293558
N-(2-cyanophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280482
5-(2-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide
CID 109285229

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyanoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(2-cyanoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide (CID 109294656) is 5-(2-cyanoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-cyanoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2-cyanoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide is N#Cc1ccccc1NC(=O)c1cnc(Nc2ccccc2C#N)cn1.
What is the InChIKey of 5-(2-cyanoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide?
The InChIKey is JIYYJSISVKHXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N6O/c20-9-13-5-1-3-7-15(13)24-18-12-22-17(11-23-18)19(26)25-16-8-4-2-6-14(16)10-21/h1-8,11-12H,(H,23,24)(H,25,26).
What are the key properties of 5-(2-cyanoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide?
5-(2-cyanoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide has a molecular weight of 340.35 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyanoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109294656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).