4-[6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]butanamide

C15H14F3N3O2 — CID 23202625

IUPAC4-[6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]butanamide
SMILESNC(=O)CCCc1cncc(Oc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H14F3N3O2/c16-15(17,18)10-3-1-5-12(7-10)23-14-9-20-8-11(21-14)4-2-6-13(19)22/h1,3,5,7-9H,2,4,6H2,(H2,19,22)
InChIKeyWDEHVSFERFZBGB-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.10
Rot. Bonds6

About 4-[6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]butanamide

4-[6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]butanamide (PubChem CID 23202625) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 4-[6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]butanamide.

Molecular Properties

Compound Name4-[6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]butanamide
PubChem CID23202625
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC Name4-[6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]butanamide
SMILESNC(=O)CCCc1cncc(Oc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H14F3N3O2/c16-15(17,18)10-3-1-5-12(7-10)23-14-9-20-8-11(21-14)4-2-6-13(19)22/h1,3,5,7-9H,2,4,6H2,(H2,19,22)
InChIKeyWDEHVSFERFZBGB-UHFFFAOYSA-N
XLogP3.10
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]butanamide?
The IUPAC name of 4-[6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]butanamide (CID 23202625) is 4-[6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]butanamide.
What is the SMILES notation for 4-[6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]butanamide?
The canonical SMILES for 4-[6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]butanamide is NC(=O)CCCc1cncc(Oc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 4-[6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]butanamide?
The InChIKey is WDEHVSFERFZBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c16-15(17,18)10-3-1-5-12(7-10)23-14-9-20-8-11(21-14)4-2-6-13(19)22/h1,3,5,7-9H,2,4,6H2,(H2,19,22).
What are the key properties of 4-[6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]butanamide?
4-[6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]butanamide has a molecular weight of 325.29 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]butanamide is sourced from PubChem (CID 23202625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).