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

C20H16N6O2 — CID 109294144

IUPACN-(4-acetamidophenyl)-5-(2-cyanoanilino)pyrazine-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cnc(Nc3ccccc3C#N)cn2)cc1
InChIInChI=1S/C20H16N6O2/c1-13(27)24-15-6-8-16(9-7-15)25-20(28)18-11-23-19(12-22-18)26-17-5-3-2-4-14(17)10-21/h2-9,11-12H,1H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyIMBRHHYZBOVDPW-UHFFFAOYSA-N
MW372.39 g/mol
LogP3.30
Rot. Bonds5

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

N-(4-acetamidophenyl)-5-(2-cyanoanilino)pyrazine-2-carboxamide (PubChem CID 109294144) has the molecular formula C20H16N6O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-5-(2-cyanoanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-5-(2-cyanoanilino)pyrazine-2-carboxamide
PubChem CID109294144
Molecular FormulaC20H16N6O2
Molecular Weight372.39 g/mol
Exact Mass372.13
IUPAC NameN-(4-acetamidophenyl)-5-(2-cyanoanilino)pyrazine-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cnc(Nc3ccccc3C#N)cn2)cc1
InChIInChI=1S/C20H16N6O2/c1-13(27)24-15-6-8-16(9-7-15)25-20(28)18-11-23-19(12-22-18)26-17-5-3-2-4-14(17)10-21/h2-9,11-12H,1H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyIMBRHHYZBOVDPW-UHFFFAOYSA-N
XLogP3.30
TPSA119.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-cyanoanilino)-N-(4-cyanophenyl)pyrazine-2-carboxamide
CID 109294665
5-(2-cyanoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide
CID 109294656
5-(2-cyanoanilino)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 109293739
N-(3-acetamidophenyl)-5-(2-cyanoanilino)pyridine-2-carboxamide
CID 109200420
N-(2-cyanophenyl)-5-(2-ethylanilino)pyrazine-2-carboxamide
CID 109291580
5-(2-bromoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide
CID 109294390
methyl 5-(2-cyanoanilino)pyrazine-2-carboxylate
CID 114059701
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-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109293558
N-(4-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide
CID 109294086
N-(4-acetamidophenyl)-5-(2-cyanoanilino)pyridine-3-carboxamide
CID 109245887

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-5-(2-cyanoanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-5-(2-cyanoanilino)pyrazine-2-carboxamide (CID 109294144) is N-(4-acetamidophenyl)-5-(2-cyanoanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-5-(2-cyanoanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-5-(2-cyanoanilino)pyrazine-2-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cnc(Nc3ccccc3C#N)cn2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-5-(2-cyanoanilino)pyrazine-2-carboxamide?
The InChIKey is IMBRHHYZBOVDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2/c1-13(27)24-15-6-8-16(9-7-15)25-20(28)18-11-23-19(12-22-18)26-17-5-3-2-4-14(17)10-21/h2-9,11-12H,1H3,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of N-(4-acetamidophenyl)-5-(2-cyanoanilino)pyrazine-2-carboxamide?
N-(4-acetamidophenyl)-5-(2-cyanoanilino)pyrazine-2-carboxamide has a molecular weight of 372.39 g/mol, XLogP of 3.30, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-5-(2-cyanoanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109294144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).