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

C17H24F3N3O2 — CID 146423592

IUPACN-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
SMILESC[C@H]1C[C@@H](NC(=O)C(C)(C)COc2ncccc2C(F)(F)F)CN1C
InChIInChI=1S/C17H24F3N3O2/c1-11-8-12(9-23(11)4)22-15(24)16(2,3)10-25-14-13(17(18,19)20)6-5-7-21-14/h5-7,11-12H,8-10H2,1-4H3,(H,22,24)/t11-,12+/m0/s1
InChIKeyUFOBTLOAQXTYBX-NWDGAFQWSA-N
MW359.39 g/mol
LogP2.71
Rot. Bonds5

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

N-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (PubChem CID 146423592) has the molecular formula C17H24F3N3O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.

Molecular Properties

Compound NameN-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
PubChem CID146423592
Molecular FormulaC17H24F3N3O2
Molecular Weight359.39 g/mol
Exact Mass359.18
IUPAC NameN-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
SMILESC[C@H]1C[C@@H](NC(=O)C(C)(C)COc2ncccc2C(F)(F)F)CN1C
InChIInChI=1S/C17H24F3N3O2/c1-11-8-12(9-23(11)4)22-15(24)16(2,3)10-25-14-13(17(18,19)20)6-5-7-21-14/h5-7,11-12H,8-10H2,1-4H3,(H,22,24)/t11-,12+/m0/s1
InChIKeyUFOBTLOAQXTYBX-NWDGAFQWSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US11045457, Example 110
CID 146401856
US11045457, Example 161
CID 146401887
US11045457, Example 157
CID 146401932
US11045457, Example 115
CID 146402382
US11045457, Example 209
CID 146402430
US11045457, Example 33
CID 146422009
N~1~-{[2-(3,4-difluorophenoxy)pyridin-3-yl]methyl}-L-alaninamide
CID 56759592
US10166214, Example 52
CID 117709156
N-[(1S)-1-[6-[1-[4-(3,3-difluoropropoxy)phenyl]pyrrolidin-3-yl]oxy-3-pyridinyl]ethyl]acetamide
CID 118473367
US11045457, Example 91
CID 146401824
US11045457, Example 139
CID 146401826
US11045457, Example 37
CID 146401828

Frequently Asked Questions

What is the IUPAC name of N-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The IUPAC name of N-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (CID 146423592) is N-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.
What is the SMILES notation for N-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The canonical SMILES for N-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is C[C@H]1C[C@@H](NC(=O)C(C)(C)COc2ncccc2C(F)(F)F)CN1C.
What is the InChIKey of N-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The InChIKey is UFOBTLOAQXTYBX-NWDGAFQWSA-N. The full InChI is InChI=1S/C17H24F3N3O2/c1-11-8-12(9-23(11)4)22-15(24)16(2,3)10-25-14-13(17(18,19)20)6-5-7-21-14/h5-7,11-12H,8-10H2,1-4H3,(H,22,24)/t11-,12+/m0/s1.
What are the key properties of N-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
N-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide has a molecular weight of 359.39 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is sourced from PubChem (CID 146423592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).