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

C20H13F6N3O3 — CID 11518188

IUPAC4-methyl-5-oxo-6-[3-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide
SMILESCn1cc(C(N)=O)nc(-c2cccc(-c3cc(C(F)(F)F)ccc3OC(F)(F)F)c2)c1=O
InChIInChI=1S/C20H13F6N3O3/c1-29-9-14(17(27)30)28-16(18(29)31)11-4-2-3-10(7-11)13-8-12(19(21,22)23)5-6-15(13)32-20(24,25)26/h2-9H,1H3,(H2,27,30)
InChIKeyAGPXUERFROACCV-UHFFFAOYSA-N
MW457.33 g/mol
LogP4.13
Rot. Bonds4

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

4-methyl-5-oxo-6-[3-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide (PubChem CID 11518188) has the molecular formula C20H13F6N3O3 and a molecular weight of 457.33 g/mol. Its IUPAC name is 4-methyl-5-oxo-6-[3-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-5-oxo-6-[3-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide
PubChem CID11518188
Molecular FormulaC20H13F6N3O3
Molecular Weight457.33 g/mol
Exact Mass457.09
IUPAC Name4-methyl-5-oxo-6-[3-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide
SMILESCn1cc(C(N)=O)nc(-c2cccc(-c3cc(C(F)(F)F)ccc3OC(F)(F)F)c2)c1=O
InChIInChI=1S/C20H13F6N3O3/c1-29-9-14(17(27)30)28-16(18(29)31)11-4-2-3-10(7-11)13-8-12(19(21,22)23)5-6-15(13)32-20(24,25)26/h2-9H,1H3,(H2,27,30)
InChIKeyAGPXUERFROACCV-UHFFFAOYSA-N
XLogP4.13
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.33
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-5-oxo-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazine-2-carboxylic acid
CID 11696778
6-[3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide
CID 11719762
6-[2-fluoro-5-[2-(2,2,2-trifluoroethoxy)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide
CID 11690315
1-methyl-5-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3-carboxamide
CID 11302890
5-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide
CID 11291743
4-nitro-1-(trifluoromethoxy)-2-[3-(trifluoromethyl)phenyl]benzene
CID 134630334
4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole-2-carboxamide
CID 11371458
4-amino-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide
CID 11360822
[2-(3,5-difluorophenyl)-4-(trifluoromethyl)phenyl] carbamate
CID 121375011
tert-butyl 1-methyl-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxylate
CID 155952572
methyl 5-chloro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 134635513
methyl 6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylate
CID 11394687

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-oxo-6-[3-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide?
The IUPAC name of 4-methyl-5-oxo-6-[3-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide (CID 11518188) is 4-methyl-5-oxo-6-[3-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 4-methyl-5-oxo-6-[3-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 4-methyl-5-oxo-6-[3-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide is Cn1cc(C(N)=O)nc(-c2cccc(-c3cc(C(F)(F)F)ccc3OC(F)(F)F)c2)c1=O.
What is the InChIKey of 4-methyl-5-oxo-6-[3-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide?
The InChIKey is AGPXUERFROACCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F6N3O3/c1-29-9-14(17(27)30)28-16(18(29)31)11-4-2-3-10(7-11)13-8-12(19(21,22)23)5-6-15(13)32-20(24,25)26/h2-9H,1H3,(H2,27,30).
What are the key properties of 4-methyl-5-oxo-6-[3-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide?
4-methyl-5-oxo-6-[3-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide has a molecular weight of 457.33 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-oxo-6-[3-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 11518188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).