N-(4-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide

C17H10F4N4O — CID 109292530

IUPACN-(4-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cnc(Nc2ccc(F)c(F)c2F)cn1
InChIInChI=1S/C17H10F4N4O/c18-9-1-3-10(4-2-9)24-17(26)13-7-23-14(8-22-13)25-12-6-5-11(19)15(20)16(12)21/h1-8H,(H,23,25)(H,24,26)
InChIKeyWSEGLSLLCDCSOO-UHFFFAOYSA-N
MW362.29 g/mol
LogP4.03
Rot. Bonds4

About N-(4-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide

N-(4-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide (PubChem CID 109292530) has the molecular formula C17H10F4N4O and a molecular weight of 362.29 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
PubChem CID109292530
Molecular FormulaC17H10F4N4O
Molecular Weight362.29 g/mol
Exact Mass362.08
IUPAC NameN-(4-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cnc(Nc2ccc(F)c(F)c2F)cn1
InChIInChI=1S/C17H10F4N4O/c18-9-1-3-10(4-2-9)24-17(26)13-7-23-14(8-22-13)25-12-6-5-11(19)15(20)16(12)21/h1-8H,(H,23,25)(H,24,26)
InChIKeyWSEGLSLLCDCSOO-UHFFFAOYSA-N
XLogP4.03
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109290106
N-(3-chloro-4-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109293212
5-(2,3,4-trifluoroanilino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109292117
N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
CID 109197490
N-prop-2-enyl-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109272138
5-(2,3-dichloroanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide
CID 109292522
N-(4-fluorophenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290130
N-(4-cyanophenyl)-5-(2,4-difluoroanilino)pyrazine-2-carboxamide
CID 109294517
N-(4-fluorophenyl)-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 109292493
5-(4-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109292823
3,4-difluoro-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]benzamide
CID 113023072
N-(3-chlorophenyl)-5-(4-fluoroanilino)pyrazine-2-carboxamide
CID 109292535

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide (CID 109292530) is N-(4-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide is O=C(Nc1ccc(F)cc1)c1cnc(Nc2ccc(F)c(F)c2F)cn1.
What is the InChIKey of N-(4-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide?
The InChIKey is WSEGLSLLCDCSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F4N4O/c18-9-1-3-10(4-2-9)24-17(26)13-7-23-14(8-22-13)25-12-6-5-11(19)15(20)16(12)21/h1-8H,(H,23,25)(H,24,26).
What are the key properties of N-(4-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide?
N-(4-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide has a molecular weight of 362.29 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109292530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).