5,6-dimethyl-3-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one

C13H15F3N2O2 — CID 97122691

IUPAC5,6-dimethyl-3-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cc(C(=O)N2CCC[C@H]2C(F)(F)F)c(=O)[nH]c1C
InChIInChI=1S/C13H15F3N2O2/c1-7-6-9(11(19)17-8(7)2)12(20)18-5-3-4-10(18)13(14,15)16/h6,10H,3-5H2,1-2H3,(H,17,19)/t10-/m0/s1
InChIKeySJDJJYNVNHCYDL-JTQLQIEISA-N
MW288.27 g/mol
LogP2.16
Rot. Bonds1

About 5,6-dimethyl-3-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one

5,6-dimethyl-3-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 97122691) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 5,6-dimethyl-3-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5,6-dimethyl-3-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID97122691
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name5,6-dimethyl-3-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cc(C(=O)N2CCC[C@H]2C(F)(F)F)c(=O)[nH]c1C
InChIInChI=1S/C13H15F3N2O2/c1-7-6-9(11(19)17-8(7)2)12(20)18-5-3-4-10(18)13(14,15)16/h6,10H,3-5H2,1-2H3,(H,17,19)/t10-/m0/s1
InChIKeySJDJJYNVNHCYDL-JTQLQIEISA-N
XLogP2.16
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(trifluoromethyl)azetidine-1-carbonyl]-1,6,7,8-tetrahydroquinoline-2,5-dione
CID 154865870
(2,8-dimethylquinolin-4-yl)-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 96575693
6-ethyl-5-methyl-3-[(2S)-2-methylpyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 125483849
5-methyl-3-[(2S)-2-methylpyrrolidine-1-carbonyl]-6-propyl-1H-pyridin-2-one
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(3-methyltriazol-4-yl)-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 138016799
3-[(3S)-3-(1,4-dimethylimidazol-2-yl)piperidine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one
CID 124960618
5,6-dimethyl-3-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
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3-[(2S)-4-benzyl-2-(hydroxymethyl)piperazine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one
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2-[1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110216136
5,6-dimethyl-3-[(3S)-3-(naphthalene-1-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one
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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5,6-dimethyl-3-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one (CID 97122691) is 5,6-dimethyl-3-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5,6-dimethyl-3-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5,6-dimethyl-3-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one is Cc1cc(C(=O)N2CCC[C@H]2C(F)(F)F)c(=O)[nH]c1C.
What is the InChIKey of 5,6-dimethyl-3-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is SJDJJYNVNHCYDL-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15F3N2O2/c1-7-6-9(11(19)17-8(7)2)12(20)18-5-3-4-10(18)13(14,15)16/h6,10H,3-5H2,1-2H3,(H,17,19)/t10-/m0/s1.
What are the key properties of 5,6-dimethyl-3-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
5,6-dimethyl-3-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 288.27 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 97122691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).