6-oxo-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1H-pyridine-3-carboxamide

C12H15F3N2O2 — CID 95905654

IUPAC6-oxo-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1H-pyridine-3-carboxamide
SMILESCC(C)(C)[C@H](NC(=O)c1ccc(=O)[nH]c1)C(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c1-11(2,3)10(12(13,14)15)17-9(19)7-4-5-8(18)16-6-7/h4-6,10H,1-3H3,(H,16,18)(H,17,19)/t10-/m0/s1
InChIKeyGPRFIZPULIPBKB-JTQLQIEISA-N
MW276.26 g/mol
LogP2.08
Rot. Bonds2

About 6-oxo-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1H-pyridine-3-carboxamide

6-oxo-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1H-pyridine-3-carboxamide (PubChem CID 95905654) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 6-oxo-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1H-pyridine-3-carboxamide
PubChem CID95905654
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name6-oxo-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1H-pyridine-3-carboxamide
SMILESCC(C)(C)[C@H](NC(=O)c1ccc(=O)[nH]c1)C(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c1-11(2,3)10(12(13,14)15)17-9(19)7-4-5-8(18)16-6-7/h4-6,10H,1-3H3,(H,16,18)(H,17,19)/t10-/m0/s1
InChIKeyGPRFIZPULIPBKB-JTQLQIEISA-N
XLogP2.08
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1H-pyridine-3-carboxamide (CID 95905654) is 6-oxo-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1H-pyridine-3-carboxamide is CC(C)(C)[C@H](NC(=O)c1ccc(=O)[nH]c1)C(F)(F)F.
What is the InChIKey of 6-oxo-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1H-pyridine-3-carboxamide?
The InChIKey is GPRFIZPULIPBKB-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-11(2,3)10(12(13,14)15)17-9(19)7-4-5-8(18)16-6-7/h4-6,10H,1-3H3,(H,16,18)(H,17,19)/t10-/m0/s1.
What are the key properties of 6-oxo-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1H-pyridine-3-carboxamide?
6-oxo-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1H-pyridine-3-carboxamide has a molecular weight of 276.26 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 95905654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).