6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxamide

C18H12F3N3O2 — CID 143119996

IUPAC6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxamide
SMILESNC(=O)c1c[nH]c(=O)c(-c2cccc(-c3ccccc3C(F)(F)F)c2)n1
InChIInChI=1S/C18H12F3N3O2/c19-18(20,21)13-7-2-1-6-12(13)10-4-3-5-11(8-10)15-17(26)23-9-14(24-15)16(22)25/h1-9H,(H2,22,25)(H,23,26)
InChIKeyKYORENHYGIYGAN-UHFFFAOYSA-N
MW359.31 g/mol
LogP3.22
Rot. Bonds3

About 6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxamide

6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxamide (PubChem CID 143119996) has the molecular formula C18H12F3N3O2 and a molecular weight of 359.31 g/mol. Its IUPAC name is 6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxamide
PubChem CID143119996
Molecular FormulaC18H12F3N3O2
Molecular Weight359.31 g/mol
Exact Mass359.09
IUPAC Name6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxamide
SMILESNC(=O)c1c[nH]c(=O)c(-c2cccc(-c3ccccc3C(F)(F)F)c2)n1
InChIInChI=1S/C18H12F3N3O2/c19-18(20,21)13-7-2-1-6-12(13)10-4-3-5-11(8-10)15-17(26)23-9-14(24-15)16(22)25/h1-9H,(H2,22,25)(H,23,26)
InChIKeyKYORENHYGIYGAN-UHFFFAOYSA-N
XLogP3.22
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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
2-methoxyimino-2-[2-[N-methoxy-C-[3-(trifluoromethyl)phenyl]carbonimidoyl]phenyl]-N-methylacetamide
CID 153709611
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 6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxamide?
The IUPAC name of 6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxamide (CID 143119996) is 6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxamide.
What is the SMILES notation for 6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxamide?
The canonical SMILES for 6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxamide is NC(=O)c1c[nH]c(=O)c(-c2cccc(-c3ccccc3C(F)(F)F)c2)n1.
What is the InChIKey of 6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxamide?
The InChIKey is KYORENHYGIYGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O2/c19-18(20,21)13-7-2-1-6-12(13)10-4-3-5-11(8-10)15-17(26)23-9-14(24-15)16(22)25/h1-9H,(H2,22,25)(H,23,26).
What are the key properties of 6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxamide?
6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxamide has a molecular weight of 359.31 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 143119996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).