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

C16H16F3N3O2 — CID 68660780

IUPAC2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1ncc(-c2cccc(C(F)(F)F)c2)cc1O
InChIInChI=1S/C16H16F3N3O2/c1-22(2)14(24)9-21-15-13(23)7-11(8-20-15)10-4-3-5-12(6-10)16(17,18)19/h3-8,23H,9H2,1-2H3,(H,20,21)
InChIKeyPMTFUQGIVNMLBQ-UHFFFAOYSA-N
MW339.32 g/mol
LogP2.97
Rot. Bonds4

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

2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N,N-dimethylacetamide (PubChem CID 68660780) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N,N-dimethylacetamide
PubChem CID68660780
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1ncc(-c2cccc(C(F)(F)F)c2)cc1O
InChIInChI=1S/C16H16F3N3O2/c1-22(2)14(24)9-21-15-13(23)7-11(8-20-15)10-4-3-5-12(6-10)16(17,18)19/h3-8,23H,9H2,1-2H3,(H,20,21)
InChIKeyPMTFUQGIVNMLBQ-UHFFFAOYSA-N
XLogP2.97
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.97
H-Bond Donors ≤ 52
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,N-dimethylacetamide?
The IUPAC name of 2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N,N-dimethylacetamide (CID 68660780) is 2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N,N-dimethylacetamide is CN(C)C(=O)CNc1ncc(-c2cccc(C(F)(F)F)c2)cc1O.
What is the InChIKey of 2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N,N-dimethylacetamide?
The InChIKey is PMTFUQGIVNMLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-22(2)14(24)9-21-15-13(23)7-11(8-20-15)10-4-3-5-12(6-10)16(17,18)19/h3-8,23H,9H2,1-2H3,(H,20,21).
What are the key properties of 2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N,N-dimethylacetamide?
2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N,N-dimethylacetamide has a molecular weight of 339.32 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 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,N-dimethylacetamide is sourced from PubChem (CID 68660780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).