N-methyl-2-(2-oxo-1-pyridinyl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide

C13H13F3N4O3 — CID 118773567

IUPACN-methyl-2-(2-oxo-1-pyridinyl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
SMILESCN(CCc1noc(C(F)(F)F)n1)C(=O)Cn1ccccc1=O
InChIInChI=1S/C13H13F3N4O3/c1-19(11(22)8-20-6-3-2-4-10(20)21)7-5-9-17-12(23-18-9)13(14,15)16/h2-4,6H,5,7-8H2,1H3
InChIKeyMESHBARAUJAUOC-UHFFFAOYSA-N
MW330.27 g/mol
LogP0.95
Rot. Bonds5

About N-methyl-2-(2-oxo-1-pyridinyl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide

N-methyl-2-(2-oxo-1-pyridinyl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide (PubChem CID 118773567) has the molecular formula C13H13F3N4O3 and a molecular weight of 330.27 g/mol. Its IUPAC name is N-methyl-2-(2-oxo-1-pyridinyl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(2-oxo-1-pyridinyl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
PubChem CID118773567
Molecular FormulaC13H13F3N4O3
Molecular Weight330.27 g/mol
Exact Mass330.09
IUPAC NameN-methyl-2-(2-oxo-1-pyridinyl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
SMILESCN(CCc1noc(C(F)(F)F)n1)C(=O)Cn1ccccc1=O
InChIInChI=1S/C13H13F3N4O3/c1-19(11(22)8-20-6-3-2-4-10(20)21)7-5-9-17-12(23-18-9)13(14,15)16/h2-4,6H,5,7-8H2,1H3
InChIKeyMESHBARAUJAUOC-UHFFFAOYSA-N
XLogP0.95
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-oxo-1-pyridinyl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide?
The IUPAC name of N-methyl-2-(2-oxo-1-pyridinyl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide (CID 118773567) is N-methyl-2-(2-oxo-1-pyridinyl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide.
What is the SMILES notation for N-methyl-2-(2-oxo-1-pyridinyl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide?
The canonical SMILES for N-methyl-2-(2-oxo-1-pyridinyl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide is CN(CCc1noc(C(F)(F)F)n1)C(=O)Cn1ccccc1=O.
What is the InChIKey of N-methyl-2-(2-oxo-1-pyridinyl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide?
The InChIKey is MESHBARAUJAUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O3/c1-19(11(22)8-20-6-3-2-4-10(20)21)7-5-9-17-12(23-18-9)13(14,15)16/h2-4,6H,5,7-8H2,1H3.
What are the key properties of N-methyl-2-(2-oxo-1-pyridinyl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide?
N-methyl-2-(2-oxo-1-pyridinyl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide has a molecular weight of 330.27 g/mol, XLogP of 0.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-oxo-1-pyridinyl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide is sourced from PubChem (CID 118773567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).