3-ethynyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide

C19H11F3N4O2 — CID 58349173

IUPAC3-ethynyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide
SMILESC#Cc1cccc(C(=O)Nc2cncc(Oc3ccc(C(F)(F)F)nc3)n2)c1
InChIInChI=1S/C19H11F3N4O2/c1-2-12-4-3-5-13(8-12)18(27)26-16-10-23-11-17(25-16)28-14-6-7-15(24-9-14)19(20,21)22/h1,3-11H,(H,25,26,27)
InChIKeyBLNURRMBLUINPN-UHFFFAOYSA-N
MW384.32 g/mol
LogP3.92
Rot. Bonds4

About 3-ethynyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide

3-ethynyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide (PubChem CID 58349173) has the molecular formula C19H11F3N4O2 and a molecular weight of 384.32 g/mol. Its IUPAC name is 3-ethynyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name3-ethynyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide
PubChem CID58349173
Molecular FormulaC19H11F3N4O2
Molecular Weight384.32 g/mol
Exact Mass384.08
IUPAC Name3-ethynyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide
SMILESC#Cc1cccc(C(=O)Nc2cncc(Oc3ccc(C(F)(F)F)nc3)n2)c1
InChIInChI=1S/C19H11F3N4O2/c1-2-12-4-3-5-13(8-12)18(27)26-16-10-23-11-17(25-16)28-14-6-7-15(24-9-14)19(20,21)22/h1,3-11H,(H,25,26,27)
InChIKeyBLNURRMBLUINPN-UHFFFAOYSA-N
XLogP3.92
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.32
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-ethynyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide 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 3-ethynyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide?
The IUPAC name of 3-ethynyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide (CID 58349173) is 3-ethynyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide.
What is the SMILES notation for 3-ethynyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide?
The canonical SMILES for 3-ethynyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide is C#Cc1cccc(C(=O)Nc2cncc(Oc3ccc(C(F)(F)F)nc3)n2)c1.
What is the InChIKey of 3-ethynyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide?
The InChIKey is BLNURRMBLUINPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N4O2/c1-2-12-4-3-5-13(8-12)18(27)26-16-10-23-11-17(25-16)28-14-6-7-15(24-9-14)19(20,21)22/h1,3-11H,(H,25,26,27).
What are the key properties of 3-ethynyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide?
3-ethynyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide has a molecular weight of 384.32 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethynyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide is sourced from PubChem (CID 58349173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).