6-bromo-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide

C14H11BrF3N3O2 — CID 66738659

IUPAC6-bromo-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESCNC(=O)c1nc(Br)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C14H11BrF3N3O2/c1-7-11(15)20-10(12(22)19-2)13(23)21(7)9-5-3-4-8(6-9)14(16,17)18/h3-6H,1-2H3,(H,19,22)
InChIKeyUDIDETLQGMPCNH-UHFFFAOYSA-N
MW390.16 g/mol
LogP2.68
Rot. Bonds2

About 6-bromo-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide

6-bromo-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (PubChem CID 66738659) has the molecular formula C14H11BrF3N3O2 and a molecular weight of 390.16 g/mol. Its IUPAC name is 6-bromo-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
PubChem CID66738659
Molecular FormulaC14H11BrF3N3O2
Molecular Weight390.16 g/mol
Exact Mass389.00
IUPAC Name6-bromo-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESCNC(=O)c1nc(Br)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C14H11BrF3N3O2/c1-7-11(15)20-10(12(22)19-2)13(23)21(7)9-5-3-4-8(6-9)14(16,17)18/h3-6H,1-2H3,(H,19,22)
InChIKeyUDIDETLQGMPCNH-UHFFFAOYSA-N
XLogP2.68
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.16
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(5-cyano-2-pyridinyl)pyrazol-3-yl]-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 24890487
5-(5-bromopyrimidin-2-yl)sulfinyl-N,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 11848090
5-bromo-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 143779393
N-[(4-bromophenyl)methyl]-3-oxo-4-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide
CID 69146149
6-[2-(4-cyanophenyl)pyrazol-3-yl]-N-ethyl-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 24890141
5-hydroxy-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 70267707
5-[(6-cyano-3-pyridinyl)sulfonyl]-N,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 11847720
5-bromo-6-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-2,4-dione
CID 158849124
5-ethenyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 141151685
N-[(4-chlorophenyl)methyl]-3-oxo-4-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide
CID 11487933
5-[(4-methylsulfonylphenyl)methyl]-3-oxo-4-[3-(trifluoromethyl)phenyl]quinoxaline-2-carbohydrazide
CID 174505173
5-iodo-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one
CID 141151683

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 6-bromo-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (CID 66738659) is 6-bromo-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-bromo-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-bromo-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is CNC(=O)c1nc(Br)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O.
What is the InChIKey of 6-bromo-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is UDIDETLQGMPCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3N3O2/c1-7-11(15)20-10(12(22)19-2)13(23)21(7)9-5-3-4-8(6-9)14(16,17)18/h3-6H,1-2H3,(H,19,22).
What are the key properties of 6-bromo-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
6-bromo-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 390.16 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 66738659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).