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

C17H18F3N3O2 — CID 68660981

IUPAC2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N,N-dimethylpropanamide
SMILESCC(Nc1ncc(-c2cccc(C(F)(F)F)c2)cc1O)C(=O)N(C)C
InChIInChI=1S/C17H18F3N3O2/c1-10(16(25)23(2)3)22-15-14(24)8-12(9-21-15)11-5-4-6-13(7-11)17(18,19)20/h4-10,24H,1-3H3,(H,21,22)
InChIKeyQGHBFPVQRIEORS-UHFFFAOYSA-N
MW353.34 g/mol
LogP3.36
Rot. Bonds4

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

2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N,N-dimethylpropanamide (PubChem CID 68660981) 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,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N,N-dimethylpropanamide
PubChem CID68660981
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC Name2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N,N-dimethylpropanamide
SMILESCC(Nc1ncc(-c2cccc(C(F)(F)F)c2)cc1O)C(=O)N(C)C
InChIInChI=1S/C17H18F3N3O2/c1-10(16(25)23(2)3)22-15-14(24)8-12(9-21-15)11-5-4-6-13(7-11)17(18,19)20/h4-10,24H,1-3H3,(H,21,22)
InChIKeyQGHBFPVQRIEORS-UHFFFAOYSA-N
XLogP3.36
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 135126582
CID 135126582
CID 125142273
CID 125142273
CID 10246836
CID 10246836
CID 68660631
CID 68660631
CID 68660780
CID 68660780
CID 68660789
CID 68660789
CID 68660827
CID 68660827
CID 68660828
CID 68660828
CID 68660833
CID 68660833
CID 68660861
CID 68660861
CID 68660876
CID 68660876
CID 68660883
CID 68660883

Frequently Asked Questions

What is the IUPAC name of 2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N,N-dimethylpropanamide (CID 68660981) is 2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N,N-dimethylpropanamide is CC(Nc1ncc(-c2cccc(C(F)(F)F)c2)cc1O)C(=O)N(C)C.
What is the InChIKey of 2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N,N-dimethylpropanamide?
The InChIKey is QGHBFPVQRIEORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c1-10(16(25)23(2)3)22-15-14(24)8-12(9-21-15)11-5-4-6-13(7-11)17(18,19)20/h4-10,24H,1-3H3,(H,21,22).
What are the key properties of 2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N,N-dimethylpropanamide?
2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N,N-dimethylpropanamide has a molecular weight of 353.34 g/mol, XLogP of 3.36, 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-dimethylpropanamide is sourced from PubChem (CID 68660981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).