2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-N-(1,5,5-trimethylpyrrolidin-3-yl)propanamide

C18H26F3N3O2 — CID 146401833

IUPAC2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-N-(1,5,5-trimethylpyrrolidin-3-yl)propanamide
SMILESCN1CC(NC(=O)C(C)(C)COc2ncccc2C(F)(F)F)CC1(C)C
InChIInChI=1S/C18H26F3N3O2/c1-16(2,15(25)23-12-9-17(3,4)24(5)10-12)11-26-14-13(18(19,20)21)7-6-8-22-14/h6-8,12H,9-11H2,1-5H3,(H,23,25)
InChIKeyAVGFJQLFVGXIEF-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.10
Rot. Bonds5

About 2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-N-(1,5,5-trimethylpyrrolidin-3-yl)propanamide

2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-N-(1,5,5-trimethylpyrrolidin-3-yl)propanamide (PubChem CID 146401833) has the molecular formula C18H26F3N3O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-N-(1,5,5-trimethylpyrrolidin-3-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-N-(1,5,5-trimethylpyrrolidin-3-yl)propanamide
PubChem CID146401833
Molecular FormulaC18H26F3N3O2
Molecular Weight373.42 g/mol
Exact Mass373.20
IUPAC Name2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-N-(1,5,5-trimethylpyrrolidin-3-yl)propanamide
SMILESCN1CC(NC(=O)C(C)(C)COc2ncccc2C(F)(F)F)CC1(C)C
InChIInChI=1S/C18H26F3N3O2/c1-16(2,15(25)23-12-9-17(3,4)24(5)10-12)11-26-14-13(18(19,20)21)7-6-8-22-14/h6-8,12H,9-11H2,1-5H3,(H,23,25)
InChIKeyAVGFJQLFVGXIEF-UHFFFAOYSA-N
XLogP3.10
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-N-(1,5,5-trimethylpyrrolidin-3-yl)propanamide?
The IUPAC name of 2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-N-(1,5,5-trimethylpyrrolidin-3-yl)propanamide (CID 146401833) is 2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-N-(1,5,5-trimethylpyrrolidin-3-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-N-(1,5,5-trimethylpyrrolidin-3-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-N-(1,5,5-trimethylpyrrolidin-3-yl)propanamide is CN1CC(NC(=O)C(C)(C)COc2ncccc2C(F)(F)F)CC1(C)C.
What is the InChIKey of 2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-N-(1,5,5-trimethylpyrrolidin-3-yl)propanamide?
The InChIKey is AVGFJQLFVGXIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N3O2/c1-16(2,15(25)23-12-9-17(3,4)24(5)10-12)11-26-14-13(18(19,20)21)7-6-8-22-14/h6-8,12H,9-11H2,1-5H3,(H,23,25).
What are the key properties of 2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-N-(1,5,5-trimethylpyrrolidin-3-yl)propanamide?
2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-N-(1,5,5-trimethylpyrrolidin-3-yl)propanamide has a molecular weight of 373.42 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-N-(1,5,5-trimethylpyrrolidin-3-yl)propanamide is sourced from PubChem (CID 146401833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).