5-[6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]pentanamide

C16H16F3N3O2 — CID 23202634

IUPAC5-[6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]pentanamide
SMILESNC(=O)CCCCc1cncc(Oc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C16H16F3N3O2/c17-16(18,19)11-4-3-6-13(8-11)24-15-10-21-9-12(22-15)5-1-2-7-14(20)23/h3-4,6,8-10H,1-2,5,7H2,(H2,20,23)
InChIKeyZNRVGHGXSZKYCN-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.49
Rot. Bonds7

About 5-[6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]pentanamide

5-[6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]pentanamide (PubChem CID 23202634) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 5-[6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]pentanamide.

Molecular Properties

Compound Name5-[6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]pentanamide
PubChem CID23202634
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name5-[6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]pentanamide
SMILESNC(=O)CCCCc1cncc(Oc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C16H16F3N3O2/c17-16(18,19)11-4-3-6-13(8-11)24-15-10-21-9-12(22-15)5-1-2-7-14(20)23/h3-4,6,8-10H,1-2,5,7H2,(H2,20,23)
InChIKeyZNRVGHGXSZKYCN-UHFFFAOYSA-N
XLogP3.49
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]pentanamide with MolForge

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

Launch Full Analysis

Related Compounds

3-[3-(Trifluoromethyl)phenoxy]pyrazine-2-carbonitrile
CID 2821109
N'-hydroxy-3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboximidamide
CID 2822034
3-Methyl-5-(3-methylpentyl)-2-phenoxypyrazine
CID 44327248
2-Amino-1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 95823255
2-Amino-1-[4-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 95823273
2-Amino-2-methyl-1-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95823274
2-Amino-2-methyl-1-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95823275
2-[3-[3-(3-Fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]acetamide
CID 110256233
N'-hydroxy-3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboximidamide
CID 135983232
3-[3-(Trifluoromethyl)phenoxy]pyrazine-2-carboxamide
CID 579033
N'-hydroxy-3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboximidamide
CID 135533435
[3-[4-(Trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine
CID 21904683

Frequently Asked Questions

What is the IUPAC name of 5-[6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]pentanamide?
The IUPAC name of 5-[6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]pentanamide (CID 23202634) is 5-[6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]pentanamide.
What is the SMILES notation for 5-[6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]pentanamide?
The canonical SMILES for 5-[6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]pentanamide is NC(=O)CCCCc1cncc(Oc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 5-[6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]pentanamide?
The InChIKey is ZNRVGHGXSZKYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c17-16(18,19)11-4-3-6-13(8-11)24-15-10-21-9-12(22-15)5-1-2-7-14(20)23/h3-4,6,8-10H,1-2,5,7H2,(H2,20,23).
What are the key properties of 5-[6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]pentanamide?
5-[6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]pentanamide has a molecular weight of 339.32 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]pentanamide is sourced from PubChem (CID 23202634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).