6-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile

C13H12N4O — CID 113233892

IUPAC6-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2nc(C3CCCC3)no2)nc1
InChIInChI=1S/C13H12N4O/c14-7-9-5-6-11(15-8-9)13-16-12(17-18-13)10-3-1-2-4-10/h5-6,8,10H,1-4H2
InChIKeyKFSWRSDJHPINHM-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.66
Rot. Bonds2

About 6-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile

6-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile (PubChem CID 113233892) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 6-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
PubChem CID113233892
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name6-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2nc(C3CCCC3)no2)nc1
InChIInChI=1S/C13H12N4O/c14-7-9-5-6-11(15-8-9)13-16-12(17-18-13)10-3-1-2-4-10/h5-6,8,10H,1-4H2
InChIKeyKFSWRSDJHPINHM-UHFFFAOYSA-N
XLogP2.66
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile (CID 113233892) is 6-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile is N#Cc1ccc(-c2nc(C3CCCC3)no2)nc1.
What is the InChIKey of 6-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile?
The InChIKey is KFSWRSDJHPINHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c14-7-9-5-6-11(15-8-9)13-16-12(17-18-13)10-3-1-2-4-10/h5-6,8,10H,1-4H2.
What are the key properties of 6-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile?
6-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile has a molecular weight of 240.27 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 113233892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).