N-(2-cyanophenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide

C18H11F2N5O — CID 109294662

IUPACN-(2-cyanophenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1cnc(Nc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C18H11F2N5O/c19-13-6-5-12(7-14(13)20)24-17-10-22-16(9-23-17)18(26)25-15-4-2-1-3-11(15)8-21/h1-7,9-10H,(H,23,24)(H,25,26)
InChIKeyQKUQDDOVLTYENJ-UHFFFAOYSA-N
MW351.32 g/mol
LogP3.62
Rot. Bonds4

About N-(2-cyanophenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide

N-(2-cyanophenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide (PubChem CID 109294662) has the molecular formula C18H11F2N5O and a molecular weight of 351.32 g/mol. Its IUPAC name is N-(2-cyanophenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide
PubChem CID109294662
Molecular FormulaC18H11F2N5O
Molecular Weight351.32 g/mol
Exact Mass351.09
IUPAC NameN-(2-cyanophenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1cnc(Nc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C18H11F2N5O/c19-13-6-5-12(7-14(13)20)24-17-10-22-16(9-23-17)18(26)25-15-4-2-1-3-11(15)8-21/h1-7,9-10H,(H,23,24)(H,25,26)
InChIKeyQKUQDDOVLTYENJ-UHFFFAOYSA-N
XLogP3.62
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-cyanophenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyanophenyl)-6-(3,4-difluoroanilino)pyridine-3-carboxamide
CID 109164997
5-(2-cyanoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide
CID 109294656
N-(2-tert-butylphenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide
CID 109292255
N-(2-cyanophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109293558
N-(2-cyanophenyl)-2-(3,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109318808
5-(2-bromoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide
CID 109294390
N-(2,5-dichlorophenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide
CID 109294588
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-ethylanilino)pyrazine-2-carboxamide
CID 109291580
N-(2-cyanophenyl)-5-(2,5-dimethylanilino)pyrazine-2-carboxamide
CID 109290955
6-(2-cyanoanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109359923

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide (CID 109294662) is N-(2-cyanophenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide is N#Cc1ccccc1NC(=O)c1cnc(Nc2ccc(F)c(F)c2)cn1.
What is the InChIKey of N-(2-cyanophenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide?
The InChIKey is QKUQDDOVLTYENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2N5O/c19-13-6-5-12(7-14(13)20)24-17-10-22-16(9-23-17)18(26)25-15-4-2-1-3-11(15)8-21/h1-7,9-10H,(H,23,24)(H,25,26).
What are the key properties of N-(2-cyanophenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide?
N-(2-cyanophenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide has a molecular weight of 351.32 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109294662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).