5-(2-cyanoanilino)-N-(4-cyanophenyl)pyrazine-2-carboxamide

C19H12N6O — CID 109294665

IUPAC5-(2-cyanoanilino)-N-(4-cyanophenyl)pyrazine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cnc(Nc3ccccc3C#N)cn2)cc1
InChIInChI=1S/C19H12N6O/c20-9-13-5-7-15(8-6-13)24-19(26)17-11-23-18(12-22-17)25-16-4-2-1-3-14(16)10-21/h1-8,11-12H,(H,23,25)(H,24,26)
InChIKeyQPRBXAITJRYDHA-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.22
Rot. Bonds4

About 5-(2-cyanoanilino)-N-(4-cyanophenyl)pyrazine-2-carboxamide

5-(2-cyanoanilino)-N-(4-cyanophenyl)pyrazine-2-carboxamide (PubChem CID 109294665) has the molecular formula C19H12N6O and a molecular weight of 340.35 g/mol. Its IUPAC name is 5-(2-cyanoanilino)-N-(4-cyanophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-cyanoanilino)-N-(4-cyanophenyl)pyrazine-2-carboxamide
PubChem CID109294665
Molecular FormulaC19H12N6O
Molecular Weight340.35 g/mol
Exact Mass340.11
IUPAC Name5-(2-cyanoanilino)-N-(4-cyanophenyl)pyrazine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cnc(Nc3ccccc3C#N)cn2)cc1
InChIInChI=1S/C19H12N6O/c20-9-13-5-7-15(8-6-13)24-19(26)17-11-23-18(12-22-17)25-16-4-2-1-3-14(16)10-21/h1-8,11-12H,(H,23,25)(H,24,26)
InChIKeyQPRBXAITJRYDHA-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

N-(4-acetamidophenyl)-5-(2-cyanoanilino)pyrazine-2-carboxamide
CID 109294144
5-(2-cyanoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide
CID 109294656
5-(2-cyanoanilino)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 109293739
5-(2-bromoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide
CID 109294390
N-(4-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide
CID 109294086
N-(4-cyanophenyl)-5-(2,4-difluoroanilino)pyrazine-2-carboxamide
CID 109294517
N-(2-cyanophenyl)-5-(2-ethylanilino)pyrazine-2-carboxamide
CID 109291580
N-(2-cyanophenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide
CID 109294662
methyl 5-(2-cyanoanilino)pyrazine-2-carboxylate
CID 114059701
N-(3-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide
CID 109294044
N-(2-cyanophenyl)-5-(2,5-dimethylanilino)pyrazine-2-carboxamide
CID 109290955
N-(4-cyanophenyl)-5-(1-phenylethylamino)pyrazine-2-carboxamide
CID 109281016

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyanoanilino)-N-(4-cyanophenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(2-cyanoanilino)-N-(4-cyanophenyl)pyrazine-2-carboxamide (CID 109294665) is 5-(2-cyanoanilino)-N-(4-cyanophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-cyanoanilino)-N-(4-cyanophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2-cyanoanilino)-N-(4-cyanophenyl)pyrazine-2-carboxamide is N#Cc1ccc(NC(=O)c2cnc(Nc3ccccc3C#N)cn2)cc1.
What is the InChIKey of 5-(2-cyanoanilino)-N-(4-cyanophenyl)pyrazine-2-carboxamide?
The InChIKey is QPRBXAITJRYDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N6O/c20-9-13-5-7-15(8-6-13)24-19(26)17-11-23-18(12-22-17)25-16-4-2-1-3-14(16)10-21/h1-8,11-12H,(H,23,25)(H,24,26).
What are the key properties of 5-(2-cyanoanilino)-N-(4-cyanophenyl)pyrazine-2-carboxamide?
5-(2-cyanoanilino)-N-(4-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-(4-cyanophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109294665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).