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

C18H11F2N5O — CID 109294517

IUPACN-(4-cyanophenyl)-5-(2,4-difluoroanilino)pyrazine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cnc(Nc3ccc(F)cc3F)cn2)cc1
InChIInChI=1S/C18H11F2N5O/c19-12-3-6-15(14(20)7-12)25-17-10-22-16(9-23-17)18(26)24-13-4-1-11(8-21)2-5-13/h1-7,9-10H,(H,23,25)(H,24,26)
InChIKeyPISWPPJJJKWURL-UHFFFAOYSA-N
MW351.32 g/mol
LogP3.62
Rot. Bonds4

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

N-(4-cyanophenyl)-5-(2,4-difluoroanilino)pyrazine-2-carboxamide (PubChem CID 109294517) has the molecular formula C18H11F2N5O and a molecular weight of 351.32 g/mol. Its IUPAC name is N-(4-cyanophenyl)-5-(2,4-difluoroanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-5-(2,4-difluoroanilino)pyrazine-2-carboxamide
PubChem CID109294517
Molecular FormulaC18H11F2N5O
Molecular Weight351.32 g/mol
Exact Mass351.09
IUPAC NameN-(4-cyanophenyl)-5-(2,4-difluoroanilino)pyrazine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cnc(Nc3ccc(F)cc3F)cn2)cc1
InChIInChI=1S/C18H11F2N5O/c19-12-3-6-15(14(20)7-12)25-17-10-22-16(9-23-17)18(26)24-13-4-1-11(8-21)2-5-13/h1-7,9-10H,(H,23,25)(H,24,26)
InChIKeyPISWPPJJJKWURL-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

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Related Compounds

5-(2-cyanoanilino)-N-(4-cyanophenyl)pyrazine-2-carboxamide
CID 109294665
5-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109198992
N-(4-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109292530
5-(3,4-dichloroanilino)-N-(2,4-difluorophenyl)pyrazine-2-carboxamide
CID 109294492
N-(2,5-dichlorophenyl)-5-(2,4-difluoroanilino)pyrazine-2-carboxamide
CID 109294510
5-(4-cyanoanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109199006
5-(2,4-difluoroanilino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109292112
N-(4-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide
CID 109294086
N-(2,3-dichlorophenyl)-5-(2,4-difluoroanilino)pyrazine-2-carboxamide
CID 109294513
N-(2,4-difluorophenyl)-5-(4-ethylanilino)pyrazine-2-carboxamide
CID 109291695
N-cyclopropyl-5-(2,4-difluoroanilino)pyrazine-2-carboxamide
CID 109271723
5-(2,6-difluoroanilino)-N-(2,4-difluorophenyl)pyrazine-2-carboxamide
CID 109294504

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-5-(2,4-difluoroanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-5-(2,4-difluoroanilino)pyrazine-2-carboxamide (CID 109294517) is N-(4-cyanophenyl)-5-(2,4-difluoroanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-5-(2,4-difluoroanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-5-(2,4-difluoroanilino)pyrazine-2-carboxamide is N#Cc1ccc(NC(=O)c2cnc(Nc3ccc(F)cc3F)cn2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-5-(2,4-difluoroanilino)pyrazine-2-carboxamide?
The InChIKey is PISWPPJJJKWURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2N5O/c19-12-3-6-15(14(20)7-12)25-17-10-22-16(9-23-17)18(26)24-13-4-1-11(8-21)2-5-13/h1-7,9-10H,(H,23,25)(H,24,26).
What are the key properties of N-(4-cyanophenyl)-5-(2,4-difluoroanilino)pyrazine-2-carboxamide?
N-(4-cyanophenyl)-5-(2,4-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-(4-cyanophenyl)-5-(2,4-difluoroanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109294517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).