[2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl] 3-aminopyrazine-2-carboxylate

C17H17F3N4O4 — CID 7469228

IUPAC[2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl] 3-aminopyrazine-2-carboxylate
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)COC(=O)c1nccnc1N
InChIInChI=1S/C17H17F3N4O4/c1-2-7-27-12-4-3-10(17(18,19)20)8-11(12)24-13(25)9-28-16(26)14-15(21)23-6-5-22-14/h3-6,8H,2,7,9H2,1H3,(H2,21,23)(H,24,25)
InChIKeyGLVSSXMKCLBCNP-UHFFFAOYSA-N
MW398.34 g/mol
LogP2.66
Rot. Bonds7

About [2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl] 3-aminopyrazine-2-carboxylate

[2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl] 3-aminopyrazine-2-carboxylate (PubChem CID 7469228) has the molecular formula C17H17F3N4O4 and a molecular weight of 398.34 g/mol. Its IUPAC name is [2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl] 3-aminopyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl] 3-aminopyrazine-2-carboxylate
PubChem CID7469228
Molecular FormulaC17H17F3N4O4
Molecular Weight398.34 g/mol
Exact Mass398.12
IUPAC Name[2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl] 3-aminopyrazine-2-carboxylate
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)COC(=O)c1nccnc1N
InChIInChI=1S/C17H17F3N4O4/c1-2-7-27-12-4-3-10(17(18,19)20)8-11(12)24-13(25)9-28-16(26)14-15(21)23-6-5-22-14/h3-6,8H,2,7,9H2,1H3,(H2,21,23)(H,24,25)
InChIKeyGLVSSXMKCLBCNP-UHFFFAOYSA-N
XLogP2.66
TPSA116.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.34
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl] 5-methylpyrazine-2-carboxylate
CID 7950027
[2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7833918
[2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl] 3-methylthiophene-2-carboxylate
CID 7835097
2-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 4656638
3,3-dimethyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide
CID 112765185
[2-[2-(2-methoxyethoxy)-5-(trifluoromethyl)anilino]-2-oxoethyl] 5-propyl-1H-pyrazole-3-carboxylate
CID 55531483
2-methylsulfanyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 112765166
2-(2-acetamidophenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 7867264
4-amino-N-[2-propoxy-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride
CID 120558845
[2-[2-(2-methoxyethoxy)-5-(trifluoromethyl)anilino]-2-oxoethyl] 4-bromobenzoate
CID 16539970
2-(2-formylphenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 7762762
[2-[2-(2-methoxyethoxy)-5-(trifluoromethyl)anilino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 46639734

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl] 3-aminopyrazine-2-carboxylate?
The IUPAC name of [2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl] 3-aminopyrazine-2-carboxylate (CID 7469228) is [2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl] 3-aminopyrazine-2-carboxylate.
What is the SMILES notation for [2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl] 3-aminopyrazine-2-carboxylate?
The canonical SMILES for [2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl] 3-aminopyrazine-2-carboxylate is CCCOc1ccc(C(F)(F)F)cc1NC(=O)COC(=O)c1nccnc1N.
What is the InChIKey of [2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl] 3-aminopyrazine-2-carboxylate?
The InChIKey is GLVSSXMKCLBCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O4/c1-2-7-27-12-4-3-10(17(18,19)20)8-11(12)24-13(25)9-28-16(26)14-15(21)23-6-5-22-14/h3-6,8H,2,7,9H2,1H3,(H2,21,23)(H,24,25).
What are the key properties of [2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl] 3-aminopyrazine-2-carboxylate?
[2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl] 3-aminopyrazine-2-carboxylate has a molecular weight of 398.34 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl] 3-aminopyrazine-2-carboxylate is sourced from PubChem (CID 7469228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).