5-(7-hydroxy-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-3-methylpyridine-2-carbonitrile

C15H19N3O2 — CID 171961086

IUPAC5-(7-hydroxy-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-3-methylpyridine-2-carbonitrile
SMILESCc1cc(C2(O)CC3COCC(C2)N3C)cnc1C#N
InChIInChI=1S/C15H19N3O2/c1-10-3-11(7-17-14(10)6-16)15(19)4-12-8-20-9-13(5-15)18(12)2/h3,7,12-13,19H,4-5,8-9H2,1-2H3
InChIKeyRBLDNCVIZDMILM-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.94
Rot. Bonds1

About 5-(7-hydroxy-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-3-methylpyridine-2-carbonitrile

5-(7-hydroxy-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-3-methylpyridine-2-carbonitrile (PubChem CID 171961086) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-(7-hydroxy-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-3-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(7-hydroxy-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-3-methylpyridine-2-carbonitrile
PubChem CID171961086
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-(7-hydroxy-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-3-methylpyridine-2-carbonitrile
SMILESCc1cc(C2(O)CC3COCC(C2)N3C)cnc1C#N
InChIInChI=1S/C15H19N3O2/c1-10-3-11(7-17-14(10)6-16)15(19)4-12-8-20-9-13(5-15)18(12)2/h3,7,12-13,19H,4-5,8-9H2,1-2H3
InChIKeyRBLDNCVIZDMILM-UHFFFAOYSA-N
XLogP0.94
TPSA69.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(7-hydroxy-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-3-methylpyridine-2-carbonitrile?
The IUPAC name of 5-(7-hydroxy-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-3-methylpyridine-2-carbonitrile (CID 171961086) is 5-(7-hydroxy-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-3-methylpyridine-2-carbonitrile.
What is the SMILES notation for 5-(7-hydroxy-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-3-methylpyridine-2-carbonitrile?
The canonical SMILES for 5-(7-hydroxy-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-3-methylpyridine-2-carbonitrile is Cc1cc(C2(O)CC3COCC(C2)N3C)cnc1C#N.
What is the InChIKey of 5-(7-hydroxy-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-3-methylpyridine-2-carbonitrile?
The InChIKey is RBLDNCVIZDMILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-3-11(7-17-14(10)6-16)15(19)4-12-8-20-9-13(5-15)18(12)2/h3,7,12-13,19H,4-5,8-9H2,1-2H3.
What are the key properties of 5-(7-hydroxy-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-3-methylpyridine-2-carbonitrile?
5-(7-hydroxy-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-3-methylpyridine-2-carbonitrile has a molecular weight of 273.34 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-hydroxy-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-3-methylpyridine-2-carbonitrile is sourced from PubChem (CID 171961086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).