5-(2,3,4-trifluoroanilino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide

C20H17F3N4O — CID 109292117

IUPAC5-(2,3,4-trifluoroanilino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cnc(Nc3ccc(F)c(F)c3F)cn2)c(C)c1
InChIInChI=1S/C20H17F3N4O/c1-10-6-11(2)19(12(3)7-10)27-20(28)15-8-25-16(9-24-15)26-14-5-4-13(21)17(22)18(14)23/h4-9H,1-3H3,(H,25,26)(H,27,28)
InChIKeyCMGXBRVKWBJJJD-UHFFFAOYSA-N
MW386.38 g/mol
LogP4.82
Rot. Bonds4

About 5-(2,3,4-trifluoroanilino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide

5-(2,3,4-trifluoroanilino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide (PubChem CID 109292117) has the molecular formula C20H17F3N4O and a molecular weight of 386.38 g/mol. Its IUPAC name is 5-(2,3,4-trifluoroanilino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2,3,4-trifluoroanilino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
PubChem CID109292117
Molecular FormulaC20H17F3N4O
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC Name5-(2,3,4-trifluoroanilino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cnc(Nc3ccc(F)c(F)c3F)cn2)c(C)c1
InChIInChI=1S/C20H17F3N4O/c1-10-6-11(2)19(12(3)7-10)27-20(28)15-8-25-16(9-24-15)26-14-5-4-13(21)17(22)18(14)23/h4-9H,1-3H3,(H,25,26)(H,27,28)
InChIKeyCMGXBRVKWBJJJD-UHFFFAOYSA-N
XLogP4.82
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 54.82
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

5-(2,4-difluoroanilino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109292112
N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109290106
N-(4-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109292530
N-(3-chloro-4-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109293212
5-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide
CID 109293826
N-(2,6-difluorophenyl)-5-(2,5-dimethylanilino)pyrazine-2-carboxamide
CID 109290960
5-(2,6-difluoroanilino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109290763
N-prop-2-enyl-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109272138
N-[3-(dimethylamino)propyl]-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109277899
5-(4-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109292823
5-(2-methylpropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109273026
N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
CID 109197490

Frequently Asked Questions

What is the IUPAC name of 5-(2,3,4-trifluoroanilino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(2,3,4-trifluoroanilino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide (CID 109292117) is 5-(2,3,4-trifluoroanilino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2,3,4-trifluoroanilino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2,3,4-trifluoroanilino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide is Cc1cc(C)c(NC(=O)c2cnc(Nc3ccc(F)c(F)c3F)cn2)c(C)c1.
What is the InChIKey of 5-(2,3,4-trifluoroanilino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide?
The InChIKey is CMGXBRVKWBJJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O/c1-10-6-11(2)19(12(3)7-10)27-20(28)15-8-25-16(9-24-15)26-14-5-4-13(21)17(22)18(14)23/h4-9H,1-3H3,(H,25,26)(H,27,28).
What are the key properties of 5-(2,3,4-trifluoroanilino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide?
5-(2,3,4-trifluoroanilino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide has a molecular weight of 386.38 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,4-trifluoroanilino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109292117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).