2-[(5R)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-5,6-dimethylpyridine-3-carbonitrile

C19H26N4O2 — CID 97192168

IUPAC2-[(5R)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-5,6-dimethylpyridine-3-carbonitrile
SMILESCOCCN1CCC[C@]2(CCN(c3nc(C)c(C)cc3C#N)C2)C1=O
InChIInChI=1S/C19H26N4O2/c1-14-11-16(12-20)17(21-15(14)2)23-8-6-19(13-23)5-4-7-22(18(19)24)9-10-25-3/h11H,4-10,13H2,1-3H3/t19-/m1/s1
InChIKeyQPWPEPOABVRYNW-LJQANCHMSA-N
MW342.44 g/mol
LogP2.04
Rot. Bonds4

About 2-[(5R)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-5,6-dimethylpyridine-3-carbonitrile

2-[(5R)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-5,6-dimethylpyridine-3-carbonitrile (PubChem CID 97192168) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[(5R)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-5,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(5R)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-5,6-dimethylpyridine-3-carbonitrile
PubChem CID97192168
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-[(5R)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-5,6-dimethylpyridine-3-carbonitrile
SMILESCOCCN1CCC[C@]2(CCN(c3nc(C)c(C)cc3C#N)C2)C1=O
InChIInChI=1S/C19H26N4O2/c1-14-11-16(12-20)17(21-15(14)2)23-8-6-19(13-23)5-4-7-22(18(19)24)9-10-25-3/h11H,4-10,13H2,1-3H3/t19-/m1/s1
InChIKeyQPWPEPOABVRYNW-LJQANCHMSA-N
XLogP2.04
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-5,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-[(5R)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-5,6-dimethylpyridine-3-carbonitrile (CID 97192168) is 2-[(5R)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-5,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(5R)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-5,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(5R)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-5,6-dimethylpyridine-3-carbonitrile is COCCN1CCC[C@]2(CCN(c3nc(C)c(C)cc3C#N)C2)C1=O.
What is the InChIKey of 2-[(5R)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-5,6-dimethylpyridine-3-carbonitrile?
The InChIKey is QPWPEPOABVRYNW-LJQANCHMSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14-11-16(12-20)17(21-15(14)2)23-8-6-19(13-23)5-4-7-22(18(19)24)9-10-25-3/h11H,4-10,13H2,1-3H3/t19-/m1/s1.
What are the key properties of 2-[(5R)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-5,6-dimethylpyridine-3-carbonitrile?
2-[(5R)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-5,6-dimethylpyridine-3-carbonitrile has a molecular weight of 342.44 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-5,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 97192168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).