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

C18H13F3N4O — CID 109290106

IUPACN-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(Nc3ccc(F)c(F)c3F)cn2)cc1
InChIInChI=1S/C18H13F3N4O/c1-10-2-4-11(5-3-10)24-18(26)14-8-23-15(9-22-14)25-13-7-6-12(19)16(20)17(13)21/h2-9H,1H3,(H,23,25)(H,24,26)
InChIKeyAHPKTJXASDIIOB-UHFFFAOYSA-N
MW358.32 g/mol
LogP4.20
Rot. Bonds4

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

N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide (PubChem CID 109290106) has the molecular formula C18H13F3N4O and a molecular weight of 358.32 g/mol. Its IUPAC name is N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
PubChem CID109290106
Molecular FormulaC18H13F3N4O
Molecular Weight358.32 g/mol
Exact Mass358.10
IUPAC NameN-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(Nc3ccc(F)c(F)c3F)cn2)cc1
InChIInChI=1S/C18H13F3N4O/c1-10-2-4-11(5-3-10)24-18(26)14-8-23-15(9-22-14)25-13-7-6-12(19)16(20)17(13)21/h2-9H,1H3,(H,23,25)(H,24,26)
InChIKeyAHPKTJXASDIIOB-UHFFFAOYSA-N
XLogP4.20
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 54.20
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-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109292530
N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
CID 109197490
N-(3-chloro-4-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109293212
5-(2-fluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290035
5-(2,3,4-trifluoroanilino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109292117
5-(3,4-difluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290108
N-(4-fluorophenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290130
5-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide
CID 109293826
5-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109197557
5-(4-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109292823
5-(4-methylanilino)-N-phenylpyrazine-2-carboxamide
CID 109289423
5-(2-bromoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290079

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide (CID 109290106) is N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide is Cc1ccc(NC(=O)c2cnc(Nc3ccc(F)c(F)c3F)cn2)cc1.
What is the InChIKey of N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide?
The InChIKey is AHPKTJXASDIIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O/c1-10-2-4-11(5-3-10)24-18(26)14-8-23-15(9-22-14)25-13-7-6-12(19)16(20)17(13)21/h2-9H,1H3,(H,23,25)(H,24,26).
What are the key properties of N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide?
N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide has a molecular weight of 358.32 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109290106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).