N-[[(2S)-oxolan-2-yl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C13H15F3N2O3 — CID 7633522

IUPACN-[[(2S)-oxolan-2-yl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NC[C@@H]1CCCO1
InChIInChI=1S/C13H15F3N2O3/c14-13(15,16)9-3-4-12(20)18(7-9)8-11(19)17-6-10-2-1-5-21-10/h3-4,7,10H,1-2,5-6,8H2,(H,17,19)/t10-/m0/s1
InChIKeyRGYZKZNFKPHHSX-JTQLQIEISA-N
MW304.27 g/mol
LogP1.16
Rot. Bonds4

About N-[[(2S)-oxolan-2-yl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-[[(2S)-oxolan-2-yl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 7633522) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID7633522
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NC[C@@H]1CCCO1
InChIInChI=1S/C13H15F3N2O3/c14-13(15,16)9-3-4-12(20)18(7-9)8-11(19)17-6-10-2-1-5-21-10/h3-4,7,10H,1-2,5-6,8H2,(H,17,19)/t10-/m0/s1
InChIKeyRGYZKZNFKPHHSX-JTQLQIEISA-N
XLogP1.16
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 7633522) is N-[[(2S)-oxolan-2-yl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is O=C(Cn1cc(C(F)(F)F)ccc1=O)NC[C@@H]1CCCO1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is RGYZKZNFKPHHSX-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15F3N2O3/c14-13(15,16)9-3-4-12(20)18(7-9)8-11(19)17-6-10-2-1-5-21-10/h3-4,7,10H,1-2,5-6,8H2,(H,17,19)/t10-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[[(2S)-oxolan-2-yl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 304.27 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 7633522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).