5-(2-methoxyanilino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide

C19H15F3N4O2 — CID 109293435

IUPAC5-(2-methoxyanilino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESCOc1ccccc1Nc1cnc(C(=O)Nc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C19H15F3N4O2/c1-28-16-5-3-2-4-14(16)26-17-11-23-15(10-24-17)18(27)25-13-8-6-12(7-9-13)19(20,21)22/h2-11H,1H3,(H,24,26)(H,25,27)
InChIKeyZJVBCAJCZDTIAG-UHFFFAOYSA-N
MW388.35 g/mol
LogP4.50
Rot. Bonds5

About 5-(2-methoxyanilino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide

5-(2-methoxyanilino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (PubChem CID 109293435) has the molecular formula C19H15F3N4O2 and a molecular weight of 388.35 g/mol. Its IUPAC name is 5-(2-methoxyanilino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-methoxyanilino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
PubChem CID109293435
Molecular FormulaC19H15F3N4O2
Molecular Weight388.35 g/mol
Exact Mass388.11
IUPAC Name5-(2-methoxyanilino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESCOc1ccccc1Nc1cnc(C(=O)Nc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C19H15F3N4O2/c1-28-16-5-3-2-4-14(16)26-17-11-23-15(10-24-17)18(27)25-13-8-6-12(7-9-13)19(20,21)22/h2-11H,1H3,(H,24,26)(H,25,27)
InChIKeyZJVBCAJCZDTIAG-UHFFFAOYSA-N
XLogP4.50
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-anilino-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109289577
N-(4-fluorophenyl)-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 109292493
N-(2-ethylphenyl)-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 109291498
5-(tert-butylamino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109287391
5-(2-ethoxyanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290053
5-(5-chloro-2-methoxyanilino)-N-phenylpyrazine-2-carboxamide
CID 109289456
N-(4-methoxyphenyl)-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109289766
N-(4-tert-butylphenyl)-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109128331
5-(2,3-dimethylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109291424
5-(2-methoxy-5-methylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293379
5-(2-ethoxyanilino)-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109292013
N-benzyl-5-(2-methoxyanilino)pyrazine-2-carboxamide
CID 109279734

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyanilino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(2-methoxyanilino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (CID 109293435) is 5-(2-methoxyanilino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-methoxyanilino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(2-methoxyanilino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is COc1ccccc1Nc1cnc(C(=O)Nc2ccc(C(F)(F)F)cc2)cn1.
What is the InChIKey of 5-(2-methoxyanilino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is ZJVBCAJCZDTIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2/c1-28-16-5-3-2-4-14(16)26-17-11-23-15(10-24-17)18(27)25-13-8-6-12(7-9-13)19(20,21)22/h2-11H,1H3,(H,24,26)(H,25,27).
What are the key properties of 5-(2-methoxyanilino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
5-(2-methoxyanilino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 388.35 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyanilino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109293435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).