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

C16H16F3N3O2 — CID 68660999

IUPAC2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1ncc(-c2cccc(C(F)(F)F)c2)cc1O
InChIInChI=1S/C16H16F3N3O2/c1-9(15(24)20-2)22-14-13(23)7-11(8-21-14)10-4-3-5-12(6-10)16(17,18)19/h3-9,23H,1-2H3,(H,20,24)(H,21,22)
InChIKeyQFKRQFGMXRMEPN-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.02
Rot. Bonds4

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

2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N-methylpropanamide (PubChem CID 68660999) 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-methylpropanamide.

Molecular Properties

Compound Name2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N-methylpropanamide
PubChem CID68660999
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1ncc(-c2cccc(C(F)(F)F)c2)cc1O
InChIInChI=1S/C16H16F3N3O2/c1-9(15(24)20-2)22-14-13(23)7-11(8-21-14)10-4-3-5-12(6-10)16(17,18)19/h3-9,23H,1-2H3,(H,20,24)(H,21,22)
InChIKeyQFKRQFGMXRMEPN-UHFFFAOYSA-N
XLogP3.02
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.02
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-methylpropanamide?
The IUPAC name of 2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N-methylpropanamide (CID 68660999) is 2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N-methylpropanamide.
What is the SMILES notation for 2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N-methylpropanamide?
The canonical SMILES for 2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N-methylpropanamide is CNC(=O)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-methylpropanamide?
The InChIKey is QFKRQFGMXRMEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-9(15(24)20-2)22-14-13(23)7-11(8-21-14)10-4-3-5-12(6-10)16(17,18)19/h3-9,23H,1-2H3,(H,20,24)(H,21,22).
What are the key properties of 2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N-methylpropanamide?
2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N-methylpropanamide has a molecular weight of 339.32 g/mol, XLogP of 3.02, 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-methylpropanamide is sourced from PubChem (CID 68660999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).