6-[3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile

C11H11N5O — CID 63748662

IUPAC6-[3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
SMILESCNCCc1noc(-c2ccc(C#N)cn2)n1
InChIInChI=1S/C11H11N5O/c1-13-5-4-10-15-11(17-16-10)9-3-2-8(6-12)7-14-9/h2-3,7,13H,4-5H2,1H3
InChIKeyDHDIGOPKXCTLPK-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.77
Rot. Bonds4

About 6-[3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile

6-[3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile (PubChem CID 63748662) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is 6-[3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
PubChem CID63748662
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC Name6-[3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
SMILESCNCCc1noc(-c2ccc(C#N)cn2)n1
InChIInChI=1S/C11H11N5O/c1-13-5-4-10-15-11(17-16-10)9-3-2-8(6-12)7-14-9/h2-3,7,13H,4-5H2,1H3
InChIKeyDHDIGOPKXCTLPK-UHFFFAOYSA-N
XLogP0.77
TPSA87.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile (CID 63748662) is 6-[3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile is CNCCc1noc(-c2ccc(C#N)cn2)n1.
What is the InChIKey of 6-[3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile?
The InChIKey is DHDIGOPKXCTLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O/c1-13-5-4-10-15-11(17-16-10)9-3-2-8(6-12)7-14-9/h2-3,7,13H,4-5H2,1H3.
What are the key properties of 6-[3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile?
6-[3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile has a molecular weight of 229.24 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 63748662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).