5-anilino-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide

C18H13F3N4O — CID 109289576

IUPAC5-anilino-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cnc(Nc2ccccc2)cn1
InChIInChI=1S/C18H13F3N4O/c19-18(20,21)12-5-4-8-14(9-12)25-17(26)15-10-23-16(11-22-15)24-13-6-2-1-3-7-13/h1-11H,(H,23,24)(H,25,26)
InChIKeyQINSDVTYGDSMSN-UHFFFAOYSA-N
MW358.32 g/mol
LogP4.49
Rot. Bonds4

About 5-anilino-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide

5-anilino-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (PubChem CID 109289576) has the molecular formula C18H13F3N4O and a molecular weight of 358.32 g/mol. Its IUPAC name is 5-anilino-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-anilino-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
PubChem CID109289576
Molecular FormulaC18H13F3N4O
Molecular Weight358.32 g/mol
Exact Mass358.10
IUPAC Name5-anilino-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cnc(Nc2ccccc2)cn1
InChIInChI=1S/C18H13F3N4O/c19-18(20,21)12-5-4-8-14(9-12)25-17(26)15-10-23-16(11-22-15)24-13-6-2-1-3-7-13/h1-11H,(H,23,24)(H,25,26)
InChIKeyQINSDVTYGDSMSN-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-anilino-N-[3-(trifluoromethyl)phenyl]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

5-anilino-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109289577
N-(4-chlorophenyl)-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 109292840
5-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 107377456
5-(1-phenylethylamino)-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109280985
5-(pyridin-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109283161
2-anilino-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109176138
N-prop-2-enyl-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 109272085
N-(4-fluorophenyl)-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 109292493
5-anilino-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109289534
N-(3-chlorophenyl)-5-(4-fluoroanilino)pyrazine-2-carboxamide
CID 109292535
pyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]pyrazin-2-yl]methanone
CID 109273635
5-(4-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289825

Frequently Asked Questions

What is the IUPAC name of 5-anilino-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 5-anilino-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (CID 109289576) is 5-anilino-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-anilino-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-anilino-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1cnc(Nc2ccccc2)cn1.
What is the InChIKey of 5-anilino-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is QINSDVTYGDSMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O/c19-18(20,21)12-5-4-8-14(9-12)25-17(26)15-10-23-16(11-22-15)24-13-6-2-1-3-7-13/h1-11H,(H,23,24)(H,25,26).
What are the key properties of 5-anilino-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
5-anilino-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 358.32 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilino-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109289576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).