2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N,2-dimethylpropanamide

C17H18F3N3O2 — CID 68661057

IUPAC2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)(C)Nc1ncc(-c2cccc(C(F)(F)F)c2)cc1O
InChIInChI=1S/C17H18F3N3O2/c1-16(2,15(25)21-3)23-14-13(24)8-11(9-22-14)10-5-4-6-12(7-10)17(18,19)20/h4-9,24H,1-3H3,(H,21,25)(H,22,23)
InChIKeyNKIMLUFRPUTULK-UHFFFAOYSA-N
MW353.34 g/mol
LogP3.41
Rot. Bonds4

About 2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N,2-dimethylpropanamide

2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N,2-dimethylpropanamide (PubChem CID 68661057) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is 2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N,2-dimethylpropanamide
PubChem CID68661057
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC Name2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)(C)Nc1ncc(-c2cccc(C(F)(F)F)c2)cc1O
InChIInChI=1S/C17H18F3N3O2/c1-16(2,15(25)21-3)23-14-13(24)8-11(9-22-14)10-5-4-6-12(7-10)17(18,19)20/h4-9,24H,1-3H3,(H,21,25)(H,22,23)
InChIKeyNKIMLUFRPUTULK-UHFFFAOYSA-N
XLogP3.41
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N,2-dimethylpropanamide?
The IUPAC name of 2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N,2-dimethylpropanamide (CID 68661057) is 2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N,2-dimethylpropanamide.
What is the SMILES notation for 2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N,2-dimethylpropanamide?
The canonical SMILES for 2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N,2-dimethylpropanamide is CNC(=O)C(C)(C)Nc1ncc(-c2cccc(C(F)(F)F)c2)cc1O.
What is the InChIKey of 2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N,2-dimethylpropanamide?
The InChIKey is NKIMLUFRPUTULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c1-16(2,15(25)21-3)23-14-13(24)8-11(9-22-14)10-5-4-6-12(7-10)17(18,19)20/h4-9,24H,1-3H3,(H,21,25)(H,22,23).
What are the key properties of 2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N,2-dimethylpropanamide?
2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N,2-dimethylpropanamide has a molecular weight of 353.34 g/mol, XLogP of 3.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N,2-dimethylpropanamide is sourced from PubChem (CID 68661057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).