6-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

C13H17N5O — CID 116808091

IUPAC6-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESNc1cccc(-c2nc(N3CCCCCC3)no2)n1
InChIInChI=1S/C13H17N5O/c14-11-7-5-6-10(15-11)12-16-13(17-19-12)18-8-3-1-2-4-9-18/h5-7H,1-4,8-9H2,(H2,14,15)
InChIKeySTVGAFLEKRHDHI-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.09
Rot. Bonds2

About 6-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

6-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (PubChem CID 116808091) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
PubChem CID116808091
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name6-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESNc1cccc(-c2nc(N3CCCCCC3)no2)n1
InChIInChI=1S/C13H17N5O/c14-11-7-5-6-10(15-11)12-16-13(17-19-12)18-8-3-1-2-4-9-18/h5-7H,1-4,8-9H2,(H2,14,15)
InChIKeySTVGAFLEKRHDHI-UHFFFAOYSA-N
XLogP2.09
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The IUPAC name of 6-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (CID 116808091) is 6-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 6-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The canonical SMILES for 6-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is Nc1cccc(-c2nc(N3CCCCCC3)no2)n1.
What is the InChIKey of 6-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The InChIKey is STVGAFLEKRHDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c14-11-7-5-6-10(15-11)12-16-13(17-19-12)18-8-3-1-2-4-9-18/h5-7H,1-4,8-9H2,(H2,14,15).
What are the key properties of 6-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
6-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine has a molecular weight of 259.31 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 116808091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).