2-hydroxy-2-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]pentanamide

C12H15F3N2O2 — CID 71558395

IUPAC2-hydroxy-2-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]pentanamide
SMILESCCCC(C)(O)C(=O)Nc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O2/c1-3-5-11(2,19)10(18)17-8-4-6-16-9(7-8)12(13,14)15/h4,6-7,19H,3,5H2,1-2H3,(H,16,17,18)
InChIKeyLBMLTLZSSNIULJ-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.59
Rot. Bonds4

About 2-hydroxy-2-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]pentanamide

2-hydroxy-2-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]pentanamide (PubChem CID 71558395) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]pentanamide.

Molecular Properties

Compound Name2-hydroxy-2-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]pentanamide
PubChem CID71558395
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name2-hydroxy-2-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]pentanamide
SMILESCCCC(C)(O)C(=O)Nc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O2/c1-3-5-11(2,19)10(18)17-8-4-6-16-9(7-8)12(13,14)15/h4,6-7,19H,3,5H2,1-2H3,(H,16,17,18)
InChIKeyLBMLTLZSSNIULJ-UHFFFAOYSA-N
XLogP2.59
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]pentanamide?
The IUPAC name of 2-hydroxy-2-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]pentanamide (CID 71558395) is 2-hydroxy-2-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]pentanamide.
What is the SMILES notation for 2-hydroxy-2-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]pentanamide?
The canonical SMILES for 2-hydroxy-2-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]pentanamide is CCCC(C)(O)C(=O)Nc1ccnc(C(F)(F)F)c1.
What is the InChIKey of 2-hydroxy-2-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]pentanamide?
The InChIKey is LBMLTLZSSNIULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-3-5-11(2,19)10(18)17-8-4-6-16-9(7-8)12(13,14)15/h4,6-7,19H,3,5H2,1-2H3,(H,16,17,18).
What are the key properties of 2-hydroxy-2-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]pentanamide?
2-hydroxy-2-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]pentanamide has a molecular weight of 276.26 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]pentanamide is sourced from PubChem (CID 71558395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).