6-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]pyridine-2-carbonitrile

C15H19N3O2 — CID 70730402

IUPAC6-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]pyridine-2-carbonitrile
SMILESCO[C@H]1C[C@@H](O)C12CCN(c1cccc(C#N)n1)CC2
InChIInChI=1S/C15H19N3O2/c1-20-13-9-12(19)15(13)5-7-18(8-6-15)14-4-2-3-11(10-16)17-14/h2-4,12-13,19H,5-9H2,1H3/t12-,13+/m1/s1
InChIKeyWPKSHWOGEAZNQA-OLZOCXBDSA-N
MW273.34 g/mol
LogP1.32
Rot. Bonds2

About 6-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]pyridine-2-carbonitrile

6-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]pyridine-2-carbonitrile (PubChem CID 70730402) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 6-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]pyridine-2-carbonitrile
PubChem CID70730402
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name6-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]pyridine-2-carbonitrile
SMILESCO[C@H]1C[C@@H](O)C12CCN(c1cccc(C#N)n1)CC2
InChIInChI=1S/C15H19N3O2/c1-20-13-9-12(19)15(13)5-7-18(8-6-15)14-4-2-3-11(10-16)17-14/h2-4,12-13,19H,5-9H2,1H3/t12-,13+/m1/s1
InChIKeyWPKSHWOGEAZNQA-OLZOCXBDSA-N
XLogP1.32
TPSA69.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]pyridine-2-carbonitrile (CID 70730402) is 6-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]pyridine-2-carbonitrile is CO[C@H]1C[C@@H](O)C12CCN(c1cccc(C#N)n1)CC2.
What is the InChIKey of 6-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]pyridine-2-carbonitrile?
The InChIKey is WPKSHWOGEAZNQA-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-20-13-9-12(19)15(13)5-7-18(8-6-15)14-4-2-3-11(10-16)17-14/h2-4,12-13,19H,5-9H2,1H3/t12-,13+/m1/s1.
What are the key properties of 6-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]pyridine-2-carbonitrile?
6-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]pyridine-2-carbonitrile has a molecular weight of 273.34 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 70730402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).