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

C13H7ClN6O — CID 155585270

IUPAC5-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(Nc2nc(-c3ccc(Cl)cn3)no2)cn1
InChIInChI=1S/C13H7ClN6O/c14-8-1-4-11(17-6-8)12-19-13(21-20-12)18-10-3-2-9(5-15)16-7-10/h1-4,6-7H,(H,18,19,20)
InChIKeyQNMXBGQICIPHNG-UHFFFAOYSA-N
MW298.69 g/mol
LogP2.80
Rot. Bonds3

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

5-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile (PubChem CID 155585270) has the molecular formula C13H7ClN6O and a molecular weight of 298.69 g/mol. Its IUPAC name is 5-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile
PubChem CID155585270
Molecular FormulaC13H7ClN6O
Molecular Weight298.69 g/mol
Exact Mass298.04
IUPAC Name5-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(Nc2nc(-c3ccc(Cl)cn3)no2)cn1
InChIInChI=1S/C13H7ClN6O/c14-8-1-4-11(17-6-8)12-19-13(21-20-12)18-10-3-2-9(5-15)16-7-10/h1-4,6-7H,(H,18,19,20)
InChIKeyQNMXBGQICIPHNG-UHFFFAOYSA-N
XLogP2.80
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.69
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile (CID 155585270) is 5-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile is N#Cc1ccc(Nc2nc(-c3ccc(Cl)cn3)no2)cn1.
What is the InChIKey of 5-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile?
The InChIKey is QNMXBGQICIPHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClN6O/c14-8-1-4-11(17-6-8)12-19-13(21-20-12)18-10-3-2-9(5-15)16-7-10/h1-4,6-7H,(H,18,19,20).
What are the key properties of 5-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile?
5-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile has a molecular weight of 298.69 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 155585270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).