N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide

C17H24F3N3O2 — CID 146402188

IUPACN-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
SMILESC[C@H]1CN(C)C[C@@H]1NC(=O)C(C)(C)COc1ncccc1C(F)(F)F
InChIInChI=1S/C17H24F3N3O2/c1-11-8-23(4)9-13(11)22-15(24)16(2,3)10-25-14-12(17(18,19)20)6-5-7-21-14/h5-7,11,13H,8-10H2,1-4H3,(H,22,24)/t11-,13-/m0/s1
InChIKeyZSCZIGSECXVULK-AAEUAGOBSA-N
MW359.39 g/mol
LogP2.57
Rot. Bonds5

About N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide

N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (PubChem CID 146402188) has the molecular formula C17H24F3N3O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.

Molecular Properties

Compound NameN-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
PubChem CID146402188
Molecular FormulaC17H24F3N3O2
Molecular Weight359.39 g/mol
Exact Mass359.18
IUPAC NameN-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
SMILESC[C@H]1CN(C)C[C@@H]1NC(=O)C(C)(C)COc1ncccc1C(F)(F)F
InChIInChI=1S/C17H24F3N3O2/c1-11-8-23(4)9-13(11)22-15(24)16(2,3)10-25-14-12(17(18,19)20)6-5-7-21-14/h5-7,11,13H,8-10H2,1-4H3,(H,22,24)/t11-,13-/m0/s1
InChIKeyZSCZIGSECXVULK-AAEUAGOBSA-N
XLogP2.57
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 146402382
US11045457, Example 209
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US11045457, Example 33
CID 146422009
N~1~-{[2-(3,4-difluorophenoxy)pyridin-3-yl]methyl}-L-alaninamide
CID 56759592
US10166214, Example 52
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US10150728, Example I-358
CID 122497616
US11045457, Example 91
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US11045457, Example 139
CID 146401826

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The IUPAC name of N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (CID 146402188) is N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.
What is the SMILES notation for N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The canonical SMILES for N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is C[C@H]1CN(C)C[C@@H]1NC(=O)C(C)(C)COc1ncccc1C(F)(F)F.
What is the InChIKey of N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The InChIKey is ZSCZIGSECXVULK-AAEUAGOBSA-N. The full InChI is InChI=1S/C17H24F3N3O2/c1-11-8-23(4)9-13(11)22-15(24)16(2,3)10-25-14-12(17(18,19)20)6-5-7-21-14/h5-7,11,13H,8-10H2,1-4H3,(H,22,24)/t11-,13-/m0/s1.
What are the key properties of N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide has a molecular weight of 359.39 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is sourced from PubChem (CID 146402188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).