6-[2-(2-methoxyethyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-3-carbonitrile

C17H22N4O2 — CID 134075055

IUPAC6-[2-(2-methoxyethyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-3-carbonitrile
SMILESCOCCN1CCC2(CCCN(c3ccc(C#N)cn3)C2)C1=O
InChIInChI=1S/C17H22N4O2/c1-23-10-9-20-8-6-17(16(20)22)5-2-7-21(13-17)15-4-3-14(11-18)12-19-15/h3-4,12H,2,5-10,13H2,1H3
InChIKeyYPSWIRGORSBUCW-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.42
Rot. Bonds4

About 6-[2-(2-methoxyethyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-3-carbonitrile

6-[2-(2-methoxyethyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-3-carbonitrile (PubChem CID 134075055) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 6-[2-(2-methoxyethyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-(2-methoxyethyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-3-carbonitrile
PubChem CID134075055
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name6-[2-(2-methoxyethyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-3-carbonitrile
SMILESCOCCN1CCC2(CCCN(c3ccc(C#N)cn3)C2)C1=O
InChIInChI=1S/C17H22N4O2/c1-23-10-9-20-8-6-17(16(20)22)5-2-7-21(13-17)15-4-3-14(11-18)12-19-15/h3-4,12H,2,5-10,13H2,1H3
InChIKeyYPSWIRGORSBUCW-UHFFFAOYSA-N
XLogP1.42
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-fluoro-2-pyridinyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72907338
(5R)-2-(3,5-dichloro-2-pyridinyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97205529
2-[(5R)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-6-propan-2-ylpyridine-3-carbonitrile
CID 97149850
(5R)-2-(3,6-dimethylpyrazin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97187615
(5S)-7-(2-methoxyethyl)-2-(8-methoxyquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97197201
2-[(5R)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-5,6-dimethylpyridine-3-carbonitrile
CID 97192168
(5R)-2-[6-(4-fluorophenyl)pyridazin-3-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97204731
(5R)-7-(2-methoxyethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97117399
6-[(5R)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid
CID 97145855
2-(4-ethyl-5-methylpyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72937971
2-(2-methoxyethyl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131656169
(5R)-7-(2-methoxyethyl)-2-(4,7,8-trimethylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97195240

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-methoxyethyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-(2-methoxyethyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-3-carbonitrile (CID 134075055) is 6-[2-(2-methoxyethyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-(2-methoxyethyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-(2-methoxyethyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-3-carbonitrile is COCCN1CCC2(CCCN(c3ccc(C#N)cn3)C2)C1=O.
What is the InChIKey of 6-[2-(2-methoxyethyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-3-carbonitrile?
The InChIKey is YPSWIRGORSBUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-23-10-9-20-8-6-17(16(20)22)5-2-7-21(13-17)15-4-3-14(11-18)12-19-15/h3-4,12H,2,5-10,13H2,1H3.
What are the key properties of 6-[2-(2-methoxyethyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-3-carbonitrile?
6-[2-(2-methoxyethyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-3-carbonitrile has a molecular weight of 314.39 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-methoxyethyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 134075055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).