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

C12H11F3N4O3 — CID 145423108

IUPACN-methyl-3-[2-oxo-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-pyridinyl]propanamide
SMILESCNC(=O)CCn1ccc(-c2noc(C(F)(F)F)n2)cc1=O
InChIInChI=1S/C12H11F3N4O3/c1-16-8(20)3-5-19-4-2-7(6-9(19)21)10-17-11(22-18-10)12(13,14)15/h2,4,6H,3,5H2,1H3,(H,16,20)
InChIKeyJPXHNVPETWJXDB-UHFFFAOYSA-N
MW316.24 g/mol
LogP1.05
Rot. Bonds4

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

N-methyl-3-[2-oxo-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-pyridinyl]propanamide (PubChem CID 145423108) has the molecular formula C12H11F3N4O3 and a molecular weight of 316.24 g/mol. Its IUPAC name is N-methyl-3-[2-oxo-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-pyridinyl]propanamide.

Molecular Properties

Compound NameN-methyl-3-[2-oxo-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-pyridinyl]propanamide
PubChem CID145423108
Molecular FormulaC12H11F3N4O3
Molecular Weight316.24 g/mol
Exact Mass316.08
IUPAC NameN-methyl-3-[2-oxo-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-pyridinyl]propanamide
SMILESCNC(=O)CCn1ccc(-c2noc(C(F)(F)F)n2)cc1=O
InChIInChI=1S/C12H11F3N4O3/c1-16-8(20)3-5-19-4-2-7(6-9(19)21)10-17-11(22-18-10)12(13,14)15/h2,4,6H,3,5H2,1H3,(H,16,20)
InChIKeyJPXHNVPETWJXDB-UHFFFAOYSA-N
XLogP1.05
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-oxo-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-pyridinyl]propanamide?
The IUPAC name of N-methyl-3-[2-oxo-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-pyridinyl]propanamide (CID 145423108) is N-methyl-3-[2-oxo-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-pyridinyl]propanamide.
What is the SMILES notation for N-methyl-3-[2-oxo-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-pyridinyl]propanamide?
The canonical SMILES for N-methyl-3-[2-oxo-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-pyridinyl]propanamide is CNC(=O)CCn1ccc(-c2noc(C(F)(F)F)n2)cc1=O.
What is the InChIKey of N-methyl-3-[2-oxo-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-pyridinyl]propanamide?
The InChIKey is JPXHNVPETWJXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O3/c1-16-8(20)3-5-19-4-2-7(6-9(19)21)10-17-11(22-18-10)12(13,14)15/h2,4,6H,3,5H2,1H3,(H,16,20).
What are the key properties of N-methyl-3-[2-oxo-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-pyridinyl]propanamide?
N-methyl-3-[2-oxo-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-pyridinyl]propanamide has a molecular weight of 316.24 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-oxo-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-pyridinyl]propanamide is sourced from PubChem (CID 145423108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).