4-cyano-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide

C19H11F3N4O2 — CID 11523829

IUPAC4-cyano-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide
SMILESN#Cn1cc(C(N)=O)nc(-c2cccc(-c3ccccc3C(F)(F)F)c2)c1=O
InChIInChI=1S/C19H11F3N4O2/c20-19(21,22)14-7-2-1-6-13(14)11-4-3-5-12(8-11)16-18(28)26(10-23)9-15(25-16)17(24)27/h1-9H,(H2,24,27)
InChIKeyKRBBKNRZFSZBBC-UHFFFAOYSA-N
MW384.32 g/mol
LogP3.02
Rot. Bonds3

About 4-cyano-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide

4-cyano-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide (PubChem CID 11523829) has the molecular formula C19H11F3N4O2 and a molecular weight of 384.32 g/mol. Its IUPAC name is 4-cyano-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name4-cyano-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide
PubChem CID11523829
Molecular FormulaC19H11F3N4O2
Molecular Weight384.32 g/mol
Exact Mass384.08
IUPAC Name4-cyano-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide
SMILESN#Cn1cc(C(N)=O)nc(-c2cccc(-c3ccccc3C(F)(F)F)c2)c1=O
InChIInChI=1S/C19H11F3N4O2/c20-19(21,22)14-7-2-1-6-13(14)11-4-3-5-12(8-11)16-18(28)26(10-23)9-15(25-16)17(24)27/h1-9H,(H2,24,27)
InChIKeyKRBBKNRZFSZBBC-UHFFFAOYSA-N
XLogP3.02
TPSA101.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methyl-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide
CID 11545237
4-(1,3-Dihydroxypropan-2-yl)-6-[3-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]-5-oxopyrazine-2-carboxamide
CID 59842423
5-methyl-3-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazin-2-one
CID 59842424
6-[3-[2-Fluoro-6-(trifluoromethyl)phenyl]phenyl]-5-oxo-4-(2-oxopropyl)pyrazine-2-carboxamide
CID 59842438
6-[3-[2-(Difluoromethyl)-6-fluorophenyl]phenyl]-4-(1,3-dihydroxypropan-2-yl)-5-oxopyrazine-2-carboxamide
CID 143119993
6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxamide
CID 143119996
6-[2-Fluoro-5-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide
CID 11495204
4-(2-Amino-2-oxoethyl)-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide
CID 11495358
4-(2-Amino-2-oxoethyl)-6-[4-fluoro-3-[4-fluoro-2-(trifluoromethyl)phenyl]phenyl]-5-oxopyrazine-2-carboxamide
CID 11496153
6-[3-[5-Bromo-2-(trifluoromethyl)phenyl]-4-fluorophenyl]-4-methyl-5-oxopyrazine-2-carboxamide
CID 11496476
6-[3-[4-Fluoro-2-(trifluoromethyl)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide
CID 11502018
5-Oxo-4-propan-2-yl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide
CID 11502230

Frequently Asked Questions

What is the IUPAC name of 4-cyano-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide?
The IUPAC name of 4-cyano-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide (CID 11523829) is 4-cyano-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 4-cyano-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 4-cyano-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide is N#Cn1cc(C(N)=O)nc(-c2cccc(-c3ccccc3C(F)(F)F)c2)c1=O.
What is the InChIKey of 4-cyano-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide?
The InChIKey is KRBBKNRZFSZBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N4O2/c20-19(21,22)14-7-2-1-6-13(14)11-4-3-5-12(8-11)16-18(28)26(10-23)9-15(25-16)17(24)27/h1-9H,(H2,24,27).
What are the key properties of 4-cyano-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide?
4-cyano-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide has a molecular weight of 384.32 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 11523829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).