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

C20H17F3N4O — CID 109291498

IUPACN-(2-ethylphenyl)-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1cnc(Nc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C20H17F3N4O/c1-2-13-5-3-4-6-16(13)27-19(28)17-11-25-18(12-24-17)26-15-9-7-14(8-10-15)20(21,22)23/h3-12H,2H2,1H3,(H,25,26)(H,27,28)
InChIKeyBSVFOAAPAKINLR-UHFFFAOYSA-N
MW386.38 g/mol
LogP5.05
Rot. Bonds5

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

N-(2-ethylphenyl)-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide (PubChem CID 109291498) has the molecular formula C20H17F3N4O and a molecular weight of 386.38 g/mol. Its IUPAC name is N-(2-ethylphenyl)-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide
PubChem CID109291498
Molecular FormulaC20H17F3N4O
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC NameN-(2-ethylphenyl)-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1cnc(Nc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C20H17F3N4O/c1-2-13-5-3-4-6-16(13)27-19(28)17-11-25-18(12-24-17)26-15-9-7-14(8-10-15)20(21,22)23/h3-12H,2H2,1H3,(H,25,26)(H,27,28)
InChIKeyBSVFOAAPAKINLR-UHFFFAOYSA-N
XLogP5.05
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.38
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-bromoanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
CID 109291484
5-anilino-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109289577
5-(3,5-dimethylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
CID 109291158
N-(2-ethylphenyl)-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109291492
N-(4-fluorophenyl)-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 109292493
5-(2-methoxyanilino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109293435
5-(4-tert-butylanilino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide
CID 109292315
5-(2,3-dimethylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
CID 109291406
methyl 4-[[5-(2-ethylanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109291565
5-(butylamino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
CID 109272633
5-anilino-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109289576
N'-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 44998950

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide (CID 109291498) is N-(2-ethylphenyl)-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide is CCc1ccccc1NC(=O)c1cnc(Nc2ccc(C(F)(F)F)cc2)cn1.
What is the InChIKey of N-(2-ethylphenyl)-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide?
The InChIKey is BSVFOAAPAKINLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O/c1-2-13-5-3-4-6-16(13)27-19(28)17-11-25-18(12-24-17)26-15-9-7-14(8-10-15)20(21,22)23/h3-12H,2H2,1H3,(H,25,26)(H,27,28).
What are the key properties of N-(2-ethylphenyl)-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide?
N-(2-ethylphenyl)-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide has a molecular weight of 386.38 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide is sourced from PubChem (CID 109291498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).