5-[(3R)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one

C15H20F3N3O2 — CID 96569057

IUPAC5-[(3R)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESCCN(C[C@H]1CCN(C(=O)c2ccc(=O)[nH]c2)C1)CC(F)(F)F
InChIInChI=1S/C15H20F3N3O2/c1-2-20(10-15(16,17)18)8-11-5-6-21(9-11)14(23)12-3-4-13(22)19-7-12/h3-4,7,11H,2,5-6,8-10H2,1H3,(H,19,22)/t11-/m1/s1
InChIKeyHDTDTQWTJHNRPR-LLVKDONJSA-N
MW331.34 g/mol
LogP1.72
Rot. Bonds5

About 5-[(3R)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one

5-[(3R)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 96569057) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 5-[(3R)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(3R)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID96569057
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC Name5-[(3R)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESCCN(C[C@H]1CCN(C(=O)c2ccc(=O)[nH]c2)C1)CC(F)(F)F
InChIInChI=1S/C15H20F3N3O2/c1-2-20(10-15(16,17)18)8-11-5-6-21(9-11)14(23)12-3-4-13(22)19-7-12/h3-4,7,11H,2,5-6,8-10H2,1H3,(H,19,22)/t11-/m1/s1
InChIKeyHDTDTQWTJHNRPR-LLVKDONJSA-N
XLogP1.72
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[(3R)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one (CID 96569057) is 5-[(3R)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[(3R)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[(3R)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one is CCN(C[C@H]1CCN(C(=O)c2ccc(=O)[nH]c2)C1)CC(F)(F)F.
What is the InChIKey of 5-[(3R)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is HDTDTQWTJHNRPR-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c1-2-20(10-15(16,17)18)8-11-5-6-21(9-11)14(23)12-3-4-13(22)19-7-12/h3-4,7,11H,2,5-6,8-10H2,1H3,(H,19,22)/t11-/m1/s1.
What are the key properties of 5-[(3R)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
5-[(3R)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 331.34 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 96569057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).