4-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-2-methoxypyridine-3-carbonitrile

C16H21N3O2 — CID 164696073

IUPAC4-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-2-methoxypyridine-3-carbonitrile
SMILESCOc1nccc(N2CCC[C@]3(CCC[C@H]3O)C2)c1C#N
InChIInChI=1S/C16H21N3O2/c1-21-15-12(10-17)13(5-8-18-15)19-9-3-7-16(11-19)6-2-4-14(16)20/h5,8,14,20H,2-4,6-7,9,11H2,1H3/t14-,16-/m1/s1
InChIKeyOHBLEAPHJSBEIS-GDBMZVCRSA-N
MW287.36 g/mol
LogP2.09
Rot. Bonds2

About 4-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-2-methoxypyridine-3-carbonitrile

4-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-2-methoxypyridine-3-carbonitrile (PubChem CID 164696073) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-2-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-2-methoxypyridine-3-carbonitrile
PubChem CID164696073
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-2-methoxypyridine-3-carbonitrile
SMILESCOc1nccc(N2CCC[C@]3(CCC[C@H]3O)C2)c1C#N
InChIInChI=1S/C16H21N3O2/c1-21-15-12(10-17)13(5-8-18-15)19-9-3-7-16(11-19)6-2-4-14(16)20/h5,8,14,20H,2-4,6-7,9,11H2,1H3/t14-,16-/m1/s1
InChIKeyOHBLEAPHJSBEIS-GDBMZVCRSA-N
XLogP2.09
TPSA69.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-2-methoxypyridine-3-carbonitrile?
The IUPAC name of 4-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-2-methoxypyridine-3-carbonitrile (CID 164696073) is 4-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-2-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 4-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-2-methoxypyridine-3-carbonitrile?
The canonical SMILES for 4-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-2-methoxypyridine-3-carbonitrile is COc1nccc(N2CCC[C@]3(CCC[C@H]3O)C2)c1C#N.
What is the InChIKey of 4-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-2-methoxypyridine-3-carbonitrile?
The InChIKey is OHBLEAPHJSBEIS-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-21-15-12(10-17)13(5-8-18-15)19-9-3-7-16(11-19)6-2-4-14(16)20/h5,8,14,20H,2-4,6-7,9,11H2,1H3/t14-,16-/m1/s1.
What are the key properties of 4-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-2-methoxypyridine-3-carbonitrile?
4-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-2-methoxypyridine-3-carbonitrile has a molecular weight of 287.36 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-2-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 164696073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).