5-[[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile

C14H7F3N6O — CID 155585104

IUPAC5-[[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(Nc2nc(-c3ccc(C(F)(F)F)cn3)no2)cn1
InChIInChI=1S/C14H7F3N6O/c15-14(16,17)8-1-4-11(20-6-8)12-22-13(24-23-12)21-10-3-2-9(5-18)19-7-10/h1-4,6-7H,(H,21,22,23)
InChIKeyVDSSZEKUGQLVHE-UHFFFAOYSA-N
MW332.25 g/mol
LogP3.16
Rot. Bonds3

About 5-[[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile

5-[[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile (PubChem CID 155585104) has the molecular formula C14H7F3N6O and a molecular weight of 332.25 g/mol. Its IUPAC name is 5-[[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile
PubChem CID155585104
Molecular FormulaC14H7F3N6O
Molecular Weight332.25 g/mol
Exact Mass332.06
IUPAC Name5-[[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(Nc2nc(-c3ccc(C(F)(F)F)cn3)no2)cn1
InChIInChI=1S/C14H7F3N6O/c15-14(16,17)8-1-4-11(20-6-8)12-22-13(24-23-12)21-10-3-2-9(5-18)19-7-10/h1-4,6-7H,(H,21,22,23)
InChIKeyVDSSZEKUGQLVHE-UHFFFAOYSA-N
XLogP3.16
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.25
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile (CID 155585104) is 5-[[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile is N#Cc1ccc(Nc2nc(-c3ccc(C(F)(F)F)cn3)no2)cn1.
What is the InChIKey of 5-[[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile?
The InChIKey is VDSSZEKUGQLVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3N6O/c15-14(16,17)8-1-4-11(20-6-8)12-22-13(24-23-12)21-10-3-2-9(5-18)19-7-10/h1-4,6-7H,(H,21,22,23).
What are the key properties of 5-[[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile?
5-[[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile has a molecular weight of 332.25 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 155585104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).