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

C14H15F3N4O3 — CID 118772904

IUPAC1-ethyl-N-methyl-2-oxo-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-4-carboxamide
SMILESCCn1ccc(C(=O)N(C)CCc2noc(C(F)(F)F)n2)cc1=O
InChIInChI=1S/C14H15F3N4O3/c1-3-21-7-4-9(8-11(21)22)12(23)20(2)6-5-10-18-13(24-19-10)14(15,16)17/h4,7-8H,3,5-6H2,1-2H3
InChIKeyNYMCDQIXQMTZPI-UHFFFAOYSA-N
MW344.29 g/mol
LogP1.58
Rot. Bonds5

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

1-ethyl-N-methyl-2-oxo-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-4-carboxamide (PubChem CID 118772904) has the molecular formula C14H15F3N4O3 and a molecular weight of 344.29 g/mol. Its IUPAC name is 1-ethyl-N-methyl-2-oxo-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-methyl-2-oxo-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-4-carboxamide
PubChem CID118772904
Molecular FormulaC14H15F3N4O3
Molecular Weight344.29 g/mol
Exact Mass344.11
IUPAC Name1-ethyl-N-methyl-2-oxo-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-4-carboxamide
SMILESCCn1ccc(C(=O)N(C)CCc2noc(C(F)(F)F)n2)cc1=O
InChIInChI=1S/C14H15F3N4O3/c1-3-21-7-4-9(8-11(21)22)12(23)20(2)6-5-10-18-13(24-19-10)14(15,16)17/h4,7-8H,3,5-6H2,1-2H3
InChIKeyNYMCDQIXQMTZPI-UHFFFAOYSA-N
XLogP1.58
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-N-methyl-2-oxo-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-methyl-2-oxo-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-4-carboxamide?
The IUPAC name of 1-ethyl-N-methyl-2-oxo-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-4-carboxamide (CID 118772904) is 1-ethyl-N-methyl-2-oxo-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-methyl-2-oxo-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-4-carboxamide?
The canonical SMILES for 1-ethyl-N-methyl-2-oxo-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-4-carboxamide is CCn1ccc(C(=O)N(C)CCc2noc(C(F)(F)F)n2)cc1=O.
What is the InChIKey of 1-ethyl-N-methyl-2-oxo-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-4-carboxamide?
The InChIKey is NYMCDQIXQMTZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O3/c1-3-21-7-4-9(8-11(21)22)12(23)20(2)6-5-10-18-13(24-19-10)14(15,16)17/h4,7-8H,3,5-6H2,1-2H3.
What are the key properties of 1-ethyl-N-methyl-2-oxo-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-4-carboxamide?
1-ethyl-N-methyl-2-oxo-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-4-carboxamide has a molecular weight of 344.29 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-methyl-2-oxo-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 118772904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).