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

C20H15F3N4O3 — CID 11495358

IUPAC4-(2-amino-2-oxoethyl)-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide
SMILESNC(=O)Cn1cc(C(N)=O)nc(-c2cccc(-c3ccccc3C(F)(F)F)c2)c1=O
InChIInChI=1S/C20H15F3N4O3/c21-20(22,23)14-7-2-1-6-13(14)11-4-3-5-12(8-11)17-19(30)27(10-16(24)28)9-15(26-17)18(25)29/h1-9H,10H2,(H2,24,28)(H2,25,29)
InChIKeyDSGMEOFHBLFADD-UHFFFAOYSA-N
MW416.36 g/mol
LogP2.18
Rot. Bonds5

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

4-(2-amino-2-oxoethyl)-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide (PubChem CID 11495358) has the molecular formula C20H15F3N4O3 and a molecular weight of 416.36 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethyl)-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethyl)-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide
PubChem CID11495358
Molecular FormulaC20H15F3N4O3
Molecular Weight416.36 g/mol
Exact Mass416.11
IUPAC Name4-(2-amino-2-oxoethyl)-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide
SMILESNC(=O)Cn1cc(C(N)=O)nc(-c2cccc(-c3ccccc3C(F)(F)F)c2)c1=O
InChIInChI=1S/C20H15F3N4O3/c21-20(22,23)14-7-2-1-6-13(14)11-4-3-5-12(8-11)17-19(30)27(10-16(24)28)9-15(26-17)18(25)29/h1-9H,10H2,(H2,24,28)(H2,25,29)
InChIKeyDSGMEOFHBLFADD-UHFFFAOYSA-N
XLogP2.18
TPSA121.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
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-[3-[2-(Difluoromethyl)-6-fluorophenyl]phenyl]-4-(2,3-dihydroxypropyl)-5-oxopyrazine-2-carboxamide
CID 143119997
N-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]-2-phenylacetamide
CID 6488668
6-[2-Fluoro-5-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide
CID 11495204
4-(2-Amino-2-oxoethyl)-6-[4-fluoro-3-[4-fluoro-2-(trifluoromethyl)phenyl]phenyl]-5-oxopyrazine-2-carboxamide
CID 11496153
6-[3-[4-Fluoro-2-(trifluoromethyl)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide
CID 11502018

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethyl)-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide?
The IUPAC name of 4-(2-amino-2-oxoethyl)-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide (CID 11495358) is 4-(2-amino-2-oxoethyl)-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 4-(2-amino-2-oxoethyl)-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 4-(2-amino-2-oxoethyl)-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide is NC(=O)Cn1cc(C(N)=O)nc(-c2cccc(-c3ccccc3C(F)(F)F)c2)c1=O.
What is the InChIKey of 4-(2-amino-2-oxoethyl)-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide?
The InChIKey is DSGMEOFHBLFADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O3/c21-20(22,23)14-7-2-1-6-13(14)11-4-3-5-12(8-11)17-19(30)27(10-16(24)28)9-15(26-17)18(25)29/h1-9H,10H2,(H2,24,28)(H2,25,29).
What are the key properties of 4-(2-amino-2-oxoethyl)-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide?
4-(2-amino-2-oxoethyl)-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide has a molecular weight of 416.36 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethyl)-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 11495358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).