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

C21H18F3N3O2 — CID 11502230

IUPAC5-oxo-4-propan-2-yl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide
SMILESCC(C)n1cc(C(N)=O)nc(-c2cccc(-c3ccccc3C(F)(F)F)c2)c1=O
InChIInChI=1S/C21H18F3N3O2/c1-12(2)27-11-17(19(25)28)26-18(20(27)29)14-7-5-6-13(10-14)15-8-3-4-9-16(15)21(22,23)24/h3-12H,1-2H3,(H2,25,28)
InChIKeyKTGVDDOFNHDNSF-UHFFFAOYSA-N
MW401.39 g/mol
LogP4.28
Rot. Bonds4

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

5-oxo-4-propan-2-yl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide (PubChem CID 11502230) has the molecular formula C21H18F3N3O2 and a molecular weight of 401.39 g/mol. Its IUPAC name is 5-oxo-4-propan-2-yl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-4-propan-2-yl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide
PubChem CID11502230
Molecular FormulaC21H18F3N3O2
Molecular Weight401.39 g/mol
Exact Mass401.14
IUPAC Name5-oxo-4-propan-2-yl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide
SMILESCC(C)n1cc(C(N)=O)nc(-c2cccc(-c3ccccc3C(F)(F)F)c2)c1=O
InChIInChI=1S/C21H18F3N3O2/c1-12(2)27-11-17(19(25)28)26-18(20(27)29)14-7-5-6-13(10-14)15-8-3-4-9-16(15)21(22,23)24/h3-12H,1-2H3,(H2,25,28)
InChIKeyKTGVDDOFNHDNSF-UHFFFAOYSA-N
XLogP4.28
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2,6-bis(4-fluorophenyl)phenyl]-N-(1-methyl-2-oxo-3-pyridinyl)acetamide
CID 168330913
4-Methyl-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide
CID 11545237
2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-oxo-1H-pyridin-3-yl]propanamide
CID 23502864
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
4-(2,3-Dihydroxypropyl)-6-[3-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]-5-oxopyrazine-2-carboxamide
CID 59842429
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-[3-[2-(Difluoromethyl)-6-fluorophenyl]phenyl]-4-(2,3-dihydroxypropyl)-5-oxopyrazine-2-carboxamide
CID 143119997
4-[C-[(Z)-2-aminoethenyl]-N-methylcarbonimidoyl]-N-(1-amino-3-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide
CID 145487094
3-[[6-[C-[(Z)-2-aminoethenyl]-N-methylcarbonimidoyl]-1-oxoisoquinolin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 164572232

Frequently Asked Questions

What is the IUPAC name of 5-oxo-4-propan-2-yl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide?
The IUPAC name of 5-oxo-4-propan-2-yl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide (CID 11502230) is 5-oxo-4-propan-2-yl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-oxo-4-propan-2-yl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-oxo-4-propan-2-yl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide is CC(C)n1cc(C(N)=O)nc(-c2cccc(-c3ccccc3C(F)(F)F)c2)c1=O.
What is the InChIKey of 5-oxo-4-propan-2-yl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide?
The InChIKey is KTGVDDOFNHDNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O2/c1-12(2)27-11-17(19(25)28)26-18(20(27)29)14-7-5-6-13(10-14)15-8-3-4-9-16(15)21(22,23)24/h3-12H,1-2H3,(H2,25,28).
What are the key properties of 5-oxo-4-propan-2-yl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide?
5-oxo-4-propan-2-yl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide has a molecular weight of 401.39 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-4-propan-2-yl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 11502230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).