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

C20H15N5O2 — CID 109294086

IUPACN-(4-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cnc(Nc3ccc(C#N)cc3)cn2)cc1
InChIInChI=1S/C20H15N5O2/c1-13(26)15-4-8-17(9-5-15)25-20(27)18-11-23-19(12-22-18)24-16-6-2-14(10-21)3-7-16/h2-9,11-12H,1H3,(H,23,24)(H,25,27)
InChIKeyONJGMIOFMAUZFQ-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.55
Rot. Bonds5

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

N-(4-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide (PubChem CID 109294086) has the molecular formula C20H15N5O2 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-(4-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide
PubChem CID109294086
Molecular FormulaC20H15N5O2
Molecular Weight357.37 g/mol
Exact Mass357.12
IUPAC NameN-(4-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cnc(Nc3ccc(C#N)cc3)cn2)cc1
InChIInChI=1S/C20H15N5O2/c1-13(26)15-4-8-17(9-5-15)25-20(27)18-11-23-19(12-22-18)24-16-6-2-14(10-21)3-7-16/h2-9,11-12H,1H3,(H,23,24)(H,25,27)
InChIKeyONJGMIOFMAUZFQ-UHFFFAOYSA-N
XLogP3.55
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide
CID 109294044
N-(4-acetylphenyl)-6-(4-cyanoanilino)-2-methylpyrimidine-4-carboxamide
CID 112850845
5-(4-acetylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293861
5-(2-cyanoanilino)-N-(4-cyanophenyl)pyrazine-2-carboxamide
CID 109294665
N-(4-acetamidophenyl)-6-(4-cyanoanilino)pyridine-3-carboxamide
CID 109164577
5-(4-cyanoanilino)-N-propylpyrazine-2-carboxamide
CID 109270948
N-(4-cyanophenyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109271147
N-(4-acetamidophenyl)-5-(2-cyanoanilino)pyrazine-2-carboxamide
CID 109294144
N-(4-cyanophenyl)-5-(2,4-difluoroanilino)pyrazine-2-carboxamide
CID 109294517
N-(4-acetylphenyl)-5-(1,3-benzodioxol-5-ylamino)pyrazine-2-carboxamide
CID 109294079
N-(4-acetylphenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrazine-2-carboxamide
CID 109294080
5-(4-acetylanilino)-N-prop-2-enylpyrazine-2-carboxamide
CID 109272088

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide (CID 109294086) is N-(4-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide is CC(=O)c1ccc(NC(=O)c2cnc(Nc3ccc(C#N)cc3)cn2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide?
The InChIKey is ONJGMIOFMAUZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2/c1-13(26)15-4-8-17(9-5-15)25-20(27)18-11-23-19(12-22-18)24-16-6-2-14(10-21)3-7-16/h2-9,11-12H,1H3,(H,23,24)(H,25,27).
What are the key properties of N-(4-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide?
N-(4-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide has a molecular weight of 357.37 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109294086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).