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

C22H20F3N3O2 — CID 11509897

IUPACN-tert-butyl-6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1c[nH]c(=O)c(-c2cccc(-c3ccccc3C(F)(F)F)c2)n1
InChIInChI=1S/C22H20F3N3O2/c1-21(2,3)28-19(29)17-12-26-20(30)18(27-17)14-8-6-7-13(11-14)15-9-4-5-10-16(15)22(23,24)25/h4-12H,1-3H3,(H,26,30)(H,28,29)
InChIKeyQAYYAORVFMAAAY-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.65
Rot. Bonds3

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

N-tert-butyl-6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxamide (PubChem CID 11509897) has the molecular formula C22H20F3N3O2 and a molecular weight of 415.42 g/mol. Its IUPAC name is N-tert-butyl-6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxamide
PubChem CID11509897
Molecular FormulaC22H20F3N3O2
Molecular Weight415.42 g/mol
Exact Mass415.15
IUPAC NameN-tert-butyl-6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1c[nH]c(=O)c(-c2cccc(-c3ccccc3C(F)(F)F)c2)n1
InChIInChI=1S/C22H20F3N3O2/c1-21(2,3)28-19(29)17-12-26-20(30)18(27-17)14-8-6-7-13(11-14)15-9-4-5-10-16(15)22(23,24)25/h4-12H,1-3H3,(H,26,30)(H,28,29)
InChIKeyQAYYAORVFMAAAY-UHFFFAOYSA-N
XLogP4.65
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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
6-[3-[2-Fluoro-6-(trifluoromethyl)phenyl]phenyl]-5-oxo-4-(2-oxopropyl)pyrazine-2-carboxamide
CID 59842438
4-amino-N-[[4-(4-fluorophenyl)-3-methylazet-2-yl]methyl]-2-phenylbutanamide
CID 143026836
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
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
(4aR,10bS)-N-butyl-10b-methyl-4a-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydrophenanthridine-6-carboxamide
CID 167440973

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxamide?
The IUPAC name of N-tert-butyl-6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxamide (CID 11509897) is N-tert-butyl-6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-tert-butyl-6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxamide is CC(C)(C)NC(=O)c1c[nH]c(=O)c(-c2cccc(-c3ccccc3C(F)(F)F)c2)n1.
What is the InChIKey of N-tert-butyl-6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxamide?
The InChIKey is QAYYAORVFMAAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O2/c1-21(2,3)28-19(29)17-12-26-20(30)18(27-17)14-8-6-7-13(11-14)15-9-4-5-10-16(15)22(23,24)25/h4-12H,1-3H3,(H,26,30)(H,28,29).
What are the key properties of N-tert-butyl-6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxamide?
N-tert-butyl-6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxamide has a molecular weight of 415.42 g/mol, XLogP of 4.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 11509897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).