(2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide

C14H17F3N2O4 — CID 95977169

IUPAC(2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide
SMILESC[C@H](OC[C@@H]1CCCO1)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C14H17F3N2O4/c1-8(23-7-10-3-2-4-22-10)12(20)19-11-5-9(14(15,16)17)6-18-13(11)21/h5-6,8,10H,2-4,7H2,1H3,(H,18,21)(H,19,20)/t8-,10-/m0/s1
InChIKeyYAGQDPJTUGDDSX-WPRPVWTQSA-N
MW334.29 g/mol
LogP1.92
Rot. Bonds5

About (2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide

(2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide (PubChem CID 95977169) has the molecular formula C14H17F3N2O4 and a molecular weight of 334.29 g/mol. Its IUPAC name is (2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide
PubChem CID95977169
Molecular FormulaC14H17F3N2O4
Molecular Weight334.29 g/mol
Exact Mass334.11
IUPAC Name(2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide
SMILESC[C@H](OC[C@@H]1CCCO1)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C14H17F3N2O4/c1-8(23-7-10-3-2-4-22-10)12(20)19-11-5-9(14(15,16)17)6-18-13(11)21/h5-6,8,10H,2-4,7H2,1H3,(H,18,21)(H,19,20)/t8-,10-/m0/s1
InChIKeyYAGQDPJTUGDDSX-WPRPVWTQSA-N
XLogP1.92
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95286084
N-(5-tert-butyl-2-hydroxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 51126483
4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid
CID 97233672
2-methyl-3-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide
CID 119399141
(2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide
CID 94823131
(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide
CID 94823133
N-(2-amino-5-methoxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 119421308
N-(5-amino-2-fluorophenyl)-2-(oxan-2-ylmethoxy)propanamide
CID 18070263
(2S)-N-(5-tert-butyl-2-cyanothiophen-3-yl)-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
CID 124515209
(2R)-N-[5-(2-methylphenyl)-1H-pyrazol-3-yl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
CID 94391895
N-(5-tert-butyl-2-cyanothiophen-3-yl)-2-(oxolan-2-ylmethoxy)propanamide
CID 122159402
2-methyl-3-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide;hydrochloride
CID 119399140

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide?
The IUPAC name of (2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide (CID 95977169) is (2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide.
What is the SMILES notation for (2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide?
The canonical SMILES for (2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide is C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O.
What is the InChIKey of (2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide?
The InChIKey is YAGQDPJTUGDDSX-WPRPVWTQSA-N. The full InChI is InChI=1S/C14H17F3N2O4/c1-8(23-7-10-3-2-4-22-10)12(20)19-11-5-9(14(15,16)17)6-18-13(11)21/h5-6,8,10H,2-4,7H2,1H3,(H,18,21)(H,19,20)/t8-,10-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide?
(2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide has a molecular weight of 334.29 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide is sourced from PubChem (CID 95977169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).