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

C14H17F3N2O4 — CID 157041793

IUPACN-[1-[(3S,4R)-4-methoxyoxan-3-yl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCO[C@@H]1CCOC[C@@H]1n1cc(C(F)(F)F)cc(NC(C)=O)c1=O
InChIInChI=1S/C14H17F3N2O4/c1-8(20)18-10-5-9(14(15,16)17)6-19(13(10)21)11-7-23-4-3-12(11)22-2/h5-6,11-12H,3-4,7H2,1-2H3,(H,18,20)/t11-,12+/m0/s1
InChIKeyWVCUFYGHWLQREU-NWDGAFQWSA-N
MW334.29 g/mol
LogP1.80
Rot. Bonds3

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

N-[1-[(3S,4R)-4-methoxyoxan-3-yl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide (PubChem CID 157041793) has the molecular formula C14H17F3N2O4 and a molecular weight of 334.29 g/mol. Its IUPAC name is N-[1-[(3S,4R)-4-methoxyoxan-3-yl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[1-[(3S,4R)-4-methoxyoxan-3-yl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide
PubChem CID157041793
Molecular FormulaC14H17F3N2O4
Molecular Weight334.29 g/mol
Exact Mass334.11
IUPAC NameN-[1-[(3S,4R)-4-methoxyoxan-3-yl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCO[C@@H]1CCOC[C@@H]1n1cc(C(F)(F)F)cc(NC(C)=O)c1=O
InChIInChI=1S/C14H17F3N2O4/c1-8(20)18-10-5-9(14(15,16)17)6-19(13(10)21)11-7-23-4-3-12(11)22-2/h5-6,11-12H,3-4,7H2,1-2H3,(H,18,20)/t11-,12+/m0/s1
InChIKeyWVCUFYGHWLQREU-NWDGAFQWSA-N
XLogP1.80
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3S,4R)-4-methoxyoxan-3-yl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The IUPAC name of N-[1-[(3S,4R)-4-methoxyoxan-3-yl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide (CID 157041793) is N-[1-[(3S,4R)-4-methoxyoxan-3-yl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[1-[(3S,4R)-4-methoxyoxan-3-yl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The canonical SMILES for N-[1-[(3S,4R)-4-methoxyoxan-3-yl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide is CO[C@@H]1CCOC[C@@H]1n1cc(C(F)(F)F)cc(NC(C)=O)c1=O.
What is the InChIKey of N-[1-[(3S,4R)-4-methoxyoxan-3-yl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The InChIKey is WVCUFYGHWLQREU-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H17F3N2O4/c1-8(20)18-10-5-9(14(15,16)17)6-19(13(10)21)11-7-23-4-3-12(11)22-2/h5-6,11-12H,3-4,7H2,1-2H3,(H,18,20)/t11-,12+/m0/s1.
What are the key properties of N-[1-[(3S,4R)-4-methoxyoxan-3-yl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide?
N-[1-[(3S,4R)-4-methoxyoxan-3-yl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide has a molecular weight of 334.29 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3S,4R)-4-methoxyoxan-3-yl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 157041793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).