3-amino-N-methyl-6-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide

C13H11F3N4O — CID 71451228

IUPAC3-amino-N-methyl-6-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESCNC(=O)c1nc(-c2cccc(C(F)(F)F)c2)cnc1N
InChIInChI=1S/C13H11F3N4O/c1-18-12(21)10-11(17)19-6-9(20-10)7-3-2-4-8(5-7)13(14,15)16/h2-6H,1H3,(H2,17,19)(H,18,21)
InChIKeyYYEBYKCTUDXNMM-UHFFFAOYSA-N
MW296.25 g/mol
LogP2.10
Rot. Bonds2

About 3-amino-N-methyl-6-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide

3-amino-N-methyl-6-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (PubChem CID 71451228) has the molecular formula C13H11F3N4O and a molecular weight of 296.25 g/mol. Its IUPAC name is 3-amino-N-methyl-6-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-6-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
PubChem CID71451228
Molecular FormulaC13H11F3N4O
Molecular Weight296.25 g/mol
Exact Mass296.09
IUPAC Name3-amino-N-methyl-6-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESCNC(=O)c1nc(-c2cccc(C(F)(F)F)c2)cnc1N
InChIInChI=1S/C13H11F3N4O/c1-18-12(21)10-11(17)19-6-9(20-10)7-3-2-4-8(5-7)13(14,15)16/h2-6H,1H3,(H2,17,19)(H,18,21)
InChIKeyYYEBYKCTUDXNMM-UHFFFAOYSA-N
XLogP2.10
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-6-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-6-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (CID 71451228) is 3-amino-N-methyl-6-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-6-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-6-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is CNC(=O)c1nc(-c2cccc(C(F)(F)F)c2)cnc1N.
What is the InChIKey of 3-amino-N-methyl-6-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is YYEBYKCTUDXNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O/c1-18-12(21)10-11(17)19-6-9(20-10)7-3-2-4-8(5-7)13(14,15)16/h2-6H,1H3,(H2,17,19)(H,18,21).
What are the key properties of 3-amino-N-methyl-6-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
3-amino-N-methyl-6-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 296.25 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-6-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 71451228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).