1-[(2S)-2-aminopropyl]-5-(trifluoromethyl)pyridin-2-one

C9H11F3N2O — CID 103934810

IUPAC1-[(2S)-2-aminopropyl]-5-(trifluoromethyl)pyridin-2-one
SMILESC[C@H](N)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C9H11F3N2O/c1-6(13)4-14-5-7(9(10,11)12)2-3-8(14)15/h2-3,5-6H,4,13H2,1H3/t6-/m0/s1
InChIKeyDPRXNRCSEKJGJF-LURJTMIESA-N
MW220.19 g/mol
LogP1.21
Rot. Bonds2

About 1-[(2S)-2-aminopropyl]-5-(trifluoromethyl)pyridin-2-one

1-[(2S)-2-aminopropyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 103934810) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 1-[(2S)-2-aminopropyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-aminopropyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID103934810
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name1-[(2S)-2-aminopropyl]-5-(trifluoromethyl)pyridin-2-one
SMILESC[C@H](N)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C9H11F3N2O/c1-6(13)4-14-5-7(9(10,11)12)2-3-8(14)15/h2-3,5-6H,4,13H2,1H3/t6-/m0/s1
InChIKeyDPRXNRCSEKJGJF-LURJTMIESA-N
XLogP1.21
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2623831
N-butyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 4826239
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-propan-2-ylacetamide
CID 7633456
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 8894228
2-[acetyl(methyl)amino]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 47249058
N-methyl-6-oxo-N-(2-oxo-2-((2,2,2-trifluoroethyl)amino)ethyl)-1,6-dihydropyridine-3-carboxamide
CID 49669728
N-(2-aminoethyl)-1-methyl-6-oxopyridine-3-carboxamide
CID 126810764
N-cyclopropyl-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide
CID 2623809
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pentan-3-ylacetamide
CID 16377604
1-(2-Aminoethyl)-5-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 63279488
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2S)-pentan-2-yl]acetamide
CID 94177643
6-oxo-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1H-pyridine-3-carboxamide
CID 95905654

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-aminopropyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[(2S)-2-aminopropyl]-5-(trifluoromethyl)pyridin-2-one (CID 103934810) is 1-[(2S)-2-aminopropyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[(2S)-2-aminopropyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[(2S)-2-aminopropyl]-5-(trifluoromethyl)pyridin-2-one is C[C@H](N)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of 1-[(2S)-2-aminopropyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is DPRXNRCSEKJGJF-LURJTMIESA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-6(13)4-14-5-7(9(10,11)12)2-3-8(14)15/h2-3,5-6H,4,13H2,1H3/t6-/m0/s1.
What are the key properties of 1-[(2S)-2-aminopropyl]-5-(trifluoromethyl)pyridin-2-one?
1-[(2S)-2-aminopropyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 220.19 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-aminopropyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 103934810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).