N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-pyridin-2-yl-1,3,4-oxadiazol-2-amine

C16H21N5O — CID 136551623

IUPACN-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-pyridin-2-yl-1,3,4-oxadiazol-2-amine
SMILESCN1C2CCCC1CC(Nc1nnc(-c3ccccn3)o1)C2
InChIInChI=1S/C16H21N5O/c1-21-12-5-4-6-13(21)10-11(9-12)18-16-20-19-15(22-16)14-7-2-3-8-17-14/h2-3,7-8,11-13H,4-6,9-10H2,1H3,(H,18,20)
InChIKeyMOJCDVQZIXRUMR-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.56
Rot. Bonds3

About N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-pyridin-2-yl-1,3,4-oxadiazol-2-amine

N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-pyridin-2-yl-1,3,4-oxadiazol-2-amine (PubChem CID 136551623) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-pyridin-2-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-pyridin-2-yl-1,3,4-oxadiazol-2-amine
PubChem CID136551623
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-pyridin-2-yl-1,3,4-oxadiazol-2-amine
SMILESCN1C2CCCC1CC(Nc1nnc(-c3ccccn3)o1)C2
InChIInChI=1S/C16H21N5O/c1-21-12-5-4-6-13(21)10-11(9-12)18-16-20-19-15(22-16)14-7-2-3-8-17-14/h2-3,7-8,11-13H,4-6,9-10H2,1H3,(H,18,20)
InChIKeyMOJCDVQZIXRUMR-UHFFFAOYSA-N
XLogP2.56
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-pyridin-2-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-pyridin-2-yl-1,3,4-oxadiazol-2-amine (CID 136551623) is N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-pyridin-2-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-pyridin-2-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-pyridin-2-yl-1,3,4-oxadiazol-2-amine is CN1C2CCCC1CC(Nc1nnc(-c3ccccn3)o1)C2.
What is the InChIKey of N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-pyridin-2-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is MOJCDVQZIXRUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-21-12-5-4-6-13(21)10-11(9-12)18-16-20-19-15(22-16)14-7-2-3-8-17-14/h2-3,7-8,11-13H,4-6,9-10H2,1H3,(H,18,20).
What are the key properties of N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-pyridin-2-yl-1,3,4-oxadiazol-2-amine?
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-pyridin-2-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 299.38 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-pyridin-2-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 136551623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).