2-[methyl(2,2,2-trifluoroethyl)amino]ethyl 6-methyl-2-oxo-1H-pyridine-3-carboxylate

C12H15F3N2O3 — CID 71987872

IUPAC2-[methyl(2,2,2-trifluoroethyl)amino]ethyl 6-methyl-2-oxo-1H-pyridine-3-carboxylate
SMILESCc1ccc(C(=O)OCCN(C)CC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C12H15F3N2O3/c1-8-3-4-9(10(18)16-8)11(19)20-6-5-17(2)7-12(13,14)15/h3-4H,5-7H2,1-2H3,(H,16,18)
InChIKeyFIWFMZLBIVGAER-UHFFFAOYSA-N
MW292.26 g/mol
LogP1.33
Rot. Bonds5

About 2-[methyl(2,2,2-trifluoroethyl)amino]ethyl 6-methyl-2-oxo-1H-pyridine-3-carboxylate

2-[methyl(2,2,2-trifluoroethyl)amino]ethyl 6-methyl-2-oxo-1H-pyridine-3-carboxylate (PubChem CID 71987872) has the molecular formula C12H15F3N2O3 and a molecular weight of 292.26 g/mol. Its IUPAC name is 2-[methyl(2,2,2-trifluoroethyl)amino]ethyl 6-methyl-2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name2-[methyl(2,2,2-trifluoroethyl)amino]ethyl 6-methyl-2-oxo-1H-pyridine-3-carboxylate
PubChem CID71987872
Molecular FormulaC12H15F3N2O3
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC Name2-[methyl(2,2,2-trifluoroethyl)amino]ethyl 6-methyl-2-oxo-1H-pyridine-3-carboxylate
SMILESCc1ccc(C(=O)OCCN(C)CC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C12H15F3N2O3/c1-8-3-4-9(10(18)16-8)11(19)20-6-5-17(2)7-12(13,14)15/h3-4H,5-7H2,1-2H3,(H,16,18)
InChIKeyFIWFMZLBIVGAER-UHFFFAOYSA-N
XLogP1.33
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylate
CID 14043508
Methyl 1-(2-methylprop-2-enyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxylate
CID 68495405
Methyl 6-(difluoromethyl)-2-oxo-1,2-dihydropyridine-3-carboxylate
CID 69233637
Ethyl 1-(3-amino-3-methylbutyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxylate
CID 172377412
Ethyl 1-(3-amino-3-methylbutyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxylate;hydrochloride
CID 172377449
Ethyl 1-[3-(dimethylamino)propyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxylate
CID 172377453
Ethyl 1-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxylate
CID 178070210
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 3911456
[1-(2,2,2-trifluoroethyl)piperidin-4-yl] 6-methyl-2-oxo-1H-pyridine-3-carboxylate
CID 71982369
[1-(2,2-difluoroethyl)piperidin-4-yl] 6-methyl-2-oxo-1H-pyridine-3-carboxylate
CID 75505066
propyl 2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylate
CID 78929466
butyl 2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylate
CID 78929489

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2,2,2-trifluoroethyl)amino]ethyl 6-methyl-2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of 2-[methyl(2,2,2-trifluoroethyl)amino]ethyl 6-methyl-2-oxo-1H-pyridine-3-carboxylate (CID 71987872) is 2-[methyl(2,2,2-trifluoroethyl)amino]ethyl 6-methyl-2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for 2-[methyl(2,2,2-trifluoroethyl)amino]ethyl 6-methyl-2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for 2-[methyl(2,2,2-trifluoroethyl)amino]ethyl 6-methyl-2-oxo-1H-pyridine-3-carboxylate is Cc1ccc(C(=O)OCCN(C)CC(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 2-[methyl(2,2,2-trifluoroethyl)amino]ethyl 6-methyl-2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is FIWFMZLBIVGAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3/c1-8-3-4-9(10(18)16-8)11(19)20-6-5-17(2)7-12(13,14)15/h3-4H,5-7H2,1-2H3,(H,16,18).
What are the key properties of 2-[methyl(2,2,2-trifluoroethyl)amino]ethyl 6-methyl-2-oxo-1H-pyridine-3-carboxylate?
2-[methyl(2,2,2-trifluoroethyl)amino]ethyl 6-methyl-2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 292.26 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2,2,2-trifluoroethyl)amino]ethyl 6-methyl-2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 71987872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).