2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

C18H15F3N4O3 — CID 20955234

IUPAC2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCCOc1nc2cccnc2n(CC(=O)Nc2ccccc2C(F)(F)F)c1=O
InChIInChI=1S/C18H15F3N4O3/c1-2-28-16-17(27)25(15-13(24-16)8-5-9-22-15)10-14(26)23-12-7-4-3-6-11(12)18(19,20)21/h3-9H,2,10H2,1H3,(H,23,26)
InChIKeyWANIDVREZRGBNE-UHFFFAOYSA-N
MW392.34 g/mol
LogP2.85
Rot. Bonds5

About 2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 20955234) has the molecular formula C18H15F3N4O3 and a molecular weight of 392.34 g/mol. Its IUPAC name is 2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID20955234
Molecular FormulaC18H15F3N4O3
Molecular Weight392.34 g/mol
Exact Mass392.11
IUPAC Name2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCCOc1nc2cccnc2n(CC(=O)Nc2ccccc2C(F)(F)F)c1=O
InChIInChI=1S/C18H15F3N4O3/c1-2-28-16-17(27)25(15-13(24-16)8-5-9-22-15)10-14(26)23-12-7-4-3-6-11(12)18(19,20)21/h3-9H,2,10H2,1H3,(H,23,26)
InChIKeyWANIDVREZRGBNE-UHFFFAOYSA-N
XLogP2.85
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 20955234) is 2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-[2-(trifluoromethyl)phenyl]acetamide is CCOc1nc2cccnc2n(CC(=O)Nc2ccccc2C(F)(F)F)c1=O.
What is the InChIKey of 2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is WANIDVREZRGBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O3/c1-2-28-16-17(27)25(15-13(24-16)8-5-9-22-15)10-14(26)23-12-7-4-3-6-11(12)18(19,20)21/h3-9H,2,10H2,1H3,(H,23,26).
What are the key properties of 2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 392.34 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 20955234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).