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

C20H16F3N3O2 — CID 11509298

IUPAC4-ethyl-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide
SMILESCCn1cc(C(N)=O)nc(-c2cccc(-c3ccccc3C(F)(F)F)c2)c1=O
InChIInChI=1S/C20H16F3N3O2/c1-2-26-11-16(18(24)27)25-17(19(26)28)13-7-5-6-12(10-13)14-8-3-4-9-15(14)20(21,22)23/h3-11H,2H2,1H3,(H2,24,27)
InChIKeyUFCVHHWTHYPFJI-UHFFFAOYSA-N
MW387.36 g/mol
LogP3.71
Rot. Bonds4

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

4-ethyl-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide (PubChem CID 11509298) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is 4-ethyl-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide
PubChem CID11509298
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC Name4-ethyl-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide
SMILESCCn1cc(C(N)=O)nc(-c2cccc(-c3ccccc3C(F)(F)F)c2)c1=O
InChIInChI=1S/C20H16F3N3O2/c1-2-26-11-16(18(24)27)25-17(19(26)28)13-7-5-6-12(10-13)14-8-3-4-9-15(14)20(21,22)23/h3-11H,2H2,1H3,(H2,24,27)
InChIKeyUFCVHHWTHYPFJI-UHFFFAOYSA-N
XLogP3.71
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 53.71
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
N-[(1E,3Z)-1-amino-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-2-imino-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 89121433
2-[4-Methyl-3-(4-methyl-5-oxopyrazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 118948830
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

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide?
The IUPAC name of 4-ethyl-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide (CID 11509298) is 4-ethyl-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 4-ethyl-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 4-ethyl-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide is CCn1cc(C(N)=O)nc(-c2cccc(-c3ccccc3C(F)(F)F)c2)c1=O.
What is the InChIKey of 4-ethyl-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide?
The InChIKey is UFCVHHWTHYPFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c1-2-26-11-16(18(24)27)25-17(19(26)28)13-7-5-6-12(10-13)14-8-3-4-9-15(14)20(21,22)23/h3-11H,2H2,1H3,(H2,24,27).
What are the key properties of 4-ethyl-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide?
4-ethyl-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide has a molecular weight of 387.36 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 11509298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).