4-[2-pyridin-3-yloxyethyl(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile

C17H13F6N3O — CID 11574618

IUPAC4-[2-pyridin-3-yloxyethyl(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(N(CCOc2cccnc2)CC(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C17H13F6N3O/c18-16(19,20)11-26(6-7-27-14-2-1-5-25-10-14)13-4-3-12(9-24)15(8-13)17(21,22)23/h1-5,8,10H,6-7,11H2
InChIKeyHIGUWCNYWWQPTL-UHFFFAOYSA-N
MW389.30 g/mol
LogP4.42
Rot. Bonds6

About 4-[2-pyridin-3-yloxyethyl(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile

4-[2-pyridin-3-yloxyethyl(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile (PubChem CID 11574618) has the molecular formula C17H13F6N3O and a molecular weight of 389.30 g/mol. Its IUPAC name is 4-[2-pyridin-3-yloxyethyl(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-[2-pyridin-3-yloxyethyl(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile
PubChem CID11574618
Molecular FormulaC17H13F6N3O
Molecular Weight389.30 g/mol
Exact Mass389.10
IUPAC Name4-[2-pyridin-3-yloxyethyl(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(N(CCOc2cccnc2)CC(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C17H13F6N3O/c18-16(19,20)11-26(6-7-27-14-2-1-5-25-10-14)13-4-3-12(9-24)15(8-13)17(21,22)23/h1-5,8,10H,6-7,11H2
InChIKeyHIGUWCNYWWQPTL-UHFFFAOYSA-N
XLogP4.42
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.30
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2-pyridin-3-yloxyethyl(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile 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-[2-pyridin-3-yloxyethyl(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-[2-pyridin-3-yloxyethyl(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile (CID 11574618) is 4-[2-pyridin-3-yloxyethyl(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-[2-pyridin-3-yloxyethyl(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-[2-pyridin-3-yloxyethyl(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile is N#Cc1ccc(N(CCOc2cccnc2)CC(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 4-[2-pyridin-3-yloxyethyl(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile?
The InChIKey is HIGUWCNYWWQPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F6N3O/c18-16(19,20)11-26(6-7-27-14-2-1-5-25-10-14)13-4-3-12(9-24)15(8-13)17(21,22)23/h1-5,8,10H,6-7,11H2.
What are the key properties of 4-[2-pyridin-3-yloxyethyl(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile?
4-[2-pyridin-3-yloxyethyl(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile has a molecular weight of 389.30 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-pyridin-3-yloxyethyl(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 11574618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).