(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide

C14H17F3N2O3 — CID 95597241

IUPAC(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESC[C@H](OC[C@H]1CCCO1)C(=O)Nc1cccc(C(F)(F)F)n1
InChIInChI=1S/C14H17F3N2O3/c1-9(22-8-10-4-3-7-21-10)13(20)19-12-6-2-5-11(18-12)14(15,16)17/h2,5-6,9-10H,3-4,7-8H2,1H3,(H,18,19,20)/t9-,10+/m0/s1
InChIKeyBOHWYFZJZZRJBY-VHSXEESVSA-N
MW318.29 g/mol
LogP2.62
Rot. Bonds5

About (2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide

(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide (PubChem CID 95597241) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.29 g/mol. Its IUPAC name is (2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
PubChem CID95597241
Molecular FormulaC14H17F3N2O3
Molecular Weight318.29 g/mol
Exact Mass318.12
IUPAC Name(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESC[C@H](OC[C@H]1CCCO1)C(=O)Nc1cccc(C(F)(F)F)n1
InChIInChI=1S/C14H17F3N2O3/c1-9(22-8-10-4-3-7-21-10)13(20)19-12-6-2-5-11(18-12)14(15,16)17/h2,5-6,9-10H,3-4,7-8H2,1H3,(H,18,19,20)/t9-,10+/m0/s1
InChIKeyBOHWYFZJZZRJBY-VHSXEESVSA-N
XLogP2.62
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The IUPAC name of (2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide (CID 95597241) is (2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for (2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The canonical SMILES for (2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide is C[C@H](OC[C@H]1CCCO1)C(=O)Nc1cccc(C(F)(F)F)n1.
What is the InChIKey of (2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The InChIKey is BOHWYFZJZZRJBY-VHSXEESVSA-N. The full InChI is InChI=1S/C14H17F3N2O3/c1-9(22-8-10-4-3-7-21-10)13(20)19-12-6-2-5-11(18-12)14(15,16)17/h2,5-6,9-10H,3-4,7-8H2,1H3,(H,18,19,20)/t9-,10+/m0/s1.
What are the key properties of (2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide has a molecular weight of 318.29 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 95597241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).