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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Related Compounds

Azd-9272
CID 9838729
Azd6538
CID 9879103
VU0285683
CID 9816778
2-[5-(4-Methylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 763882
3-(3-(Pyridin-2-yl)-1,2,4-oxadiazol-5-yl)benzonitrile
CID 10198810
2-(5-Phenyl-1,2,4-oxadiazol-3-yl)pyridine
CID 763880
3-Phenyl-5-(2-pyridyl)-1,2,4-oxadiazole
CID 851444
3-(3-Cyano-5-fluorophenyl)-5-(2-Pyridyl)-1,2,4-oxadiazole
CID 21942491
7-Phenyl-1-(5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl)-heptan-1-one
CID 24951156
2-{3-[4-(Trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}pyridine
CID 1512239
5-(3-Pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-dicarbonitrile
CID 71453394
3-Fluoro-5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-tritiobenzonitrile
CID 71460569

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).