N-[1-[(3S,4R)-4-hydroxyoxan-3-yl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide

C13H15F3N2O4 — CID 157042009

IUPACN-[1-[(3S,4R)-4-hydroxyoxan-3-yl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(C(F)(F)F)cn([C@H]2COCC[C@H]2O)c1=O
InChIInChI=1S/C13H15F3N2O4/c1-7(19)17-9-4-8(13(14,15)16)5-18(12(9)21)10-6-22-3-2-11(10)20/h4-5,10-11,20H,2-3,6H2,1H3,(H,17,19)/t10-,11+/m0/s1
InChIKeyDKKRDWMUAPQZAF-WDEREUQCSA-N
MW320.27 g/mol
LogP1.15
Rot. Bonds2

About N-[1-[(3S,4R)-4-hydroxyoxan-3-yl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide

N-[1-[(3S,4R)-4-hydroxyoxan-3-yl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide (PubChem CID 157042009) has the molecular formula C13H15F3N2O4 and a molecular weight of 320.27 g/mol. Its IUPAC name is N-[1-[(3S,4R)-4-hydroxyoxan-3-yl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[1-[(3S,4R)-4-hydroxyoxan-3-yl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide
PubChem CID157042009
Molecular FormulaC13H15F3N2O4
Molecular Weight320.27 g/mol
Exact Mass320.10
IUPAC NameN-[1-[(3S,4R)-4-hydroxyoxan-3-yl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(C(F)(F)F)cn([C@H]2COCC[C@H]2O)c1=O
InChIInChI=1S/C13H15F3N2O4/c1-7(19)17-9-4-8(13(14,15)16)5-18(12(9)21)10-6-22-3-2-11(10)20/h4-5,10-11,20H,2-3,6H2,1H3,(H,17,19)/t10-,11+/m0/s1
InChIKeyDKKRDWMUAPQZAF-WDEREUQCSA-N
XLogP1.15
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3S,4R)-4-hydroxyoxan-3-yl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The IUPAC name of N-[1-[(3S,4R)-4-hydroxyoxan-3-yl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide (CID 157042009) is N-[1-[(3S,4R)-4-hydroxyoxan-3-yl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[1-[(3S,4R)-4-hydroxyoxan-3-yl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The canonical SMILES for N-[1-[(3S,4R)-4-hydroxyoxan-3-yl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide is CC(=O)Nc1cc(C(F)(F)F)cn([C@H]2COCC[C@H]2O)c1=O.
What is the InChIKey of N-[1-[(3S,4R)-4-hydroxyoxan-3-yl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The InChIKey is DKKRDWMUAPQZAF-WDEREUQCSA-N. The full InChI is InChI=1S/C13H15F3N2O4/c1-7(19)17-9-4-8(13(14,15)16)5-18(12(9)21)10-6-22-3-2-11(10)20/h4-5,10-11,20H,2-3,6H2,1H3,(H,17,19)/t10-,11+/m0/s1.
What are the key properties of N-[1-[(3S,4R)-4-hydroxyoxan-3-yl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide?
N-[1-[(3S,4R)-4-hydroxyoxan-3-yl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide has a molecular weight of 320.27 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3S,4R)-4-hydroxyoxan-3-yl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 157042009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).