6-[(3R)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one

C15H20F3N3O2 — CID 164635777

IUPAC6-[(3R)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESCCN(C[C@H]1CCN(C(=O)c2cccc(=O)[nH]2)C1)CC(F)(F)F
InChIInChI=1S/C15H20F3N3O2/c1-2-20(10-15(16,17)18)8-11-6-7-21(9-11)14(23)12-4-3-5-13(22)19-12/h3-5,11H,2,6-10H2,1H3,(H,19,22)/t11-/m1/s1
InChIKeyHBEBAHRZOJIOKZ-LLVKDONJSA-N
MW331.34 g/mol
LogP1.72
Rot. Bonds5

About 6-[(3R)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one

6-[(3R)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 164635777) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 6-[(3R)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[(3R)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID164635777
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC Name6-[(3R)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESCCN(C[C@H]1CCN(C(=O)c2cccc(=O)[nH]2)C1)CC(F)(F)F
InChIInChI=1S/C15H20F3N3O2/c1-2-20(10-15(16,17)18)8-11-6-7-21(9-11)14(23)12-4-3-5-13(22)19-12/h3-5,11H,2,6-10H2,1H3,(H,19,22)/t11-/m1/s1
InChIKeyHBEBAHRZOJIOKZ-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

Analyze 6-[(3R)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one with MolForge

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Related Compounds

1-(2-Oxo-2-pyrrolidin-1-ylethyl)-3-(propylamino)pyridin-2-one
CID 45269129
N-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-pyridinyl]acetamide
CID 45269134
2,2-dimethyl-N-[2-oxo-2-[[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]amino]ethyl]propanamide
CID 71971522
1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one
CID 137449082
1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one
CID 137449101
1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(methylamino)pyridin-2-one
CID 139383765
1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(methylamino)pyridin-2-one
CID 139383808
N-[5-bromo-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-2-oxo-3-pyridinyl]acetamide
CID 168076041
N-[5-cyclopropyl-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-2-oxo-3-pyridinyl]acetamide
CID 168076065
1-(2-fluoropropyl)-3-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]pyridin-2-one
CID 170366828
3-methyl-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]butanamide
CID 170583199
N-(1-cyclopropylpyrrolidin-3-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 47938357

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-[(3R)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one (CID 164635777) is 6-[(3R)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[(3R)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[(3R)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one is CCN(C[C@H]1CCN(C(=O)c2cccc(=O)[nH]2)C1)CC(F)(F)F.
What is the InChIKey of 6-[(3R)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is HBEBAHRZOJIOKZ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c1-2-20(10-15(16,17)18)8-11-6-7-21(9-11)14(23)12-4-3-5-13(22)19-12/h3-5,11H,2,6-10H2,1H3,(H,19,22)/t11-/m1/s1.
What are the key properties of 6-[(3R)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
6-[(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 6-[(3R)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 164635777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).