6-methyl-2-oxo-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-1H-pyridine-3-carboxamide

C11H13F3N2O3 — CID 164643183

IUPAC6-methyl-2-oxo-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC[C@](C)(O)C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C11H13F3N2O3/c1-6-3-4-7(9(18)16-6)8(17)15-5-10(2,19)11(12,13)14/h3-4,19H,5H2,1-2H3,(H,15,17)(H,16,18)/t10-/m0/s1
InChIKeyOOEMGOVPQRXOIA-JTQLQIEISA-N
MW278.23 g/mol
LogP0.73
Rot. Bonds3

About 6-methyl-2-oxo-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-1H-pyridine-3-carboxamide

6-methyl-2-oxo-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-1H-pyridine-3-carboxamide (PubChem CID 164643183) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is 6-methyl-2-oxo-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-2-oxo-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-1H-pyridine-3-carboxamide
PubChem CID164643183
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC Name6-methyl-2-oxo-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC[C@](C)(O)C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C11H13F3N2O3/c1-6-3-4-7(9(18)16-6)8(17)15-5-10(2,19)11(12,13)14/h3-4,19H,5H2,1-2H3,(H,15,17)(H,16,18)/t10-/m0/s1
InChIKeyOOEMGOVPQRXOIA-JTQLQIEISA-N
XLogP0.73
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-2-oxo-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-1H-pyridine-3-carboxamide (CID 164643183) is 6-methyl-2-oxo-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-2-oxo-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-2-oxo-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-1H-pyridine-3-carboxamide is Cc1ccc(C(=O)NC[C@](C)(O)C(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 6-methyl-2-oxo-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-1H-pyridine-3-carboxamide?
The InChIKey is OOEMGOVPQRXOIA-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13F3N2O3/c1-6-3-4-7(9(18)16-6)8(17)15-5-10(2,19)11(12,13)14/h3-4,19H,5H2,1-2H3,(H,15,17)(H,16,18)/t10-/m0/s1.
What are the key properties of 6-methyl-2-oxo-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-1H-pyridine-3-carboxamide?
6-methyl-2-oxo-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-1H-pyridine-3-carboxamide has a molecular weight of 278.23 g/mol, XLogP of 0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 164643183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).