N-(4-fluorophenyl)-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide

C18H12F4N4O — CID 109292493

IUPACN-(4-fluorophenyl)-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cnc(Nc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C18H12F4N4O/c19-12-3-7-14(8-4-12)26-17(27)15-9-24-16(10-23-15)25-13-5-1-11(2-6-13)18(20,21)22/h1-10H,(H,24,25)(H,26,27)
InChIKeyNOSNANKIRHQWRZ-UHFFFAOYSA-N
MW376.31 g/mol
LogP4.63
Rot. Bonds4

About N-(4-fluorophenyl)-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide

N-(4-fluorophenyl)-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide (PubChem CID 109292493) has the molecular formula C18H12F4N4O and a molecular weight of 376.31 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide
PubChem CID109292493
Molecular FormulaC18H12F4N4O
Molecular Weight376.31 g/mol
Exact Mass376.09
IUPAC NameN-(4-fluorophenyl)-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cnc(Nc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C18H12F4N4O/c19-12-3-7-14(8-4-12)26-17(27)15-9-24-16(10-23-15)25-13-5-1-11(2-6-13)18(20,21)22/h1-10H,(H,24,25)(H,26,27)
InChIKeyNOSNANKIRHQWRZ-UHFFFAOYSA-N
XLogP4.63
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.31
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-fluorophenyl)-5-[4-(trifluoromethyl)anilino]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
5-[(4-fluorophenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109281758
N-(4-fluorophenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290130
5-(2-methoxyanilino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109293435
5-(cyclopropylamino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109271889
N-(2-ethylphenyl)-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 109291498
5-anilino-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109289576
N-cyclopentyl-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 109274017
N-(3-chlorophenyl)-5-(4-fluoroanilino)pyrazine-2-carboxamide
CID 109292535
5-(prop-2-enylamino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109272282
N-(4-chlorophenyl)-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 109292840
5-(3-chloro-4-methylanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide
CID 109292474

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide (CID 109292493) is N-(4-fluorophenyl)-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide is O=C(Nc1ccc(F)cc1)c1cnc(Nc2ccc(C(F)(F)F)cc2)cn1.
What is the InChIKey of N-(4-fluorophenyl)-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide?
The InChIKey is NOSNANKIRHQWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4N4O/c19-12-3-7-14(8-4-12)26-17(27)15-9-24-16(10-23-15)25-13-5-1-11(2-6-13)18(20,21)22/h1-10H,(H,24,25)(H,26,27).
What are the key properties of N-(4-fluorophenyl)-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide?
N-(4-fluorophenyl)-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide has a molecular weight of 376.31 g/mol, XLogP of 4.63, 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-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide is sourced from PubChem (CID 109292493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).