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

C12H11N5O — CID 63748661

IUPAC6-(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2nc(C3CCCN3)no2)nc1
InChIInChI=1S/C12H11N5O/c13-6-8-3-4-10(15-7-8)12-16-11(17-18-12)9-2-1-5-14-9/h3-4,7,9,14H,1-2,5H2
InChIKeySBBVGGWYOKIMRD-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.43
Rot. Bonds2

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

6-(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile (PubChem CID 63748661) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 6-(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
PubChem CID63748661
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name6-(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2nc(C3CCCN3)no2)nc1
InChIInChI=1S/C12H11N5O/c13-6-8-3-4-10(15-7-8)12-16-11(17-18-12)9-2-1-5-14-9/h3-4,7,9,14H,1-2,5H2
InChIKeySBBVGGWYOKIMRD-UHFFFAOYSA-N
XLogP1.43
TPSA87.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
CID 113233892
6-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
CID 106525265
6-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
CID 106526066
3-[3-[(2S)-azepan-2-yl]-1,2,4-oxadiazol-5-yl]benzonitrile
CID 97345748
5-(8-bromo-1,6-naphthyridin-2-yl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 167810102
6-(3-iodo-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
CID 112572198
5-(1-methylimidazol-4-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 104879912
3-pyrrolidin-2-yl-5-(thiadiazol-4-yl)-1,2,4-oxadiazole
CID 65216136
5-(2,6-dichlorophenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 55204134
3-pyrrolidin-2-yl-5-quinoxalin-6-yl-1,2,4-oxadiazole
CID 63317724
3-piperidin-2-yl-5-(1H-pyrrol-2-yl)-1,2,4-oxadiazole
CID 136920524
6-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
CID 71921724

Frequently Asked Questions

What is the IUPAC name of 6-(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile (CID 63748661) is 6-(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile is N#Cc1ccc(-c2nc(C3CCCN3)no2)nc1.
What is the InChIKey of 6-(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile?
The InChIKey is SBBVGGWYOKIMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c13-6-8-3-4-10(15-7-8)12-16-11(17-18-12)9-2-1-5-14-9/h3-4,7,9,14H,1-2,5H2.
What are the key properties of 6-(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile?
6-(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile has a molecular weight of 241.25 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 63748661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).