6-[(1R)-2-(2,8-diazaspiro[4.5]decan-8-yl)-1-hydroxyethyl]-4-methylpyridine-3-carbonitrile

C17H24N4O — CID 130466183

IUPAC6-[(1R)-2-(2,8-diazaspiro[4.5]decan-8-yl)-1-hydroxyethyl]-4-methylpyridine-3-carbonitrile
SMILESCc1cc([C@H](O)CN2CCC3(CCNC3)CC2)ncc1C#N
InChIInChI=1S/C17H24N4O/c1-13-8-15(20-10-14(13)9-18)16(22)11-21-6-3-17(4-7-21)2-5-19-12-17/h8,10,16,19,22H,2-7,11-12H2,1H3/t16-/m1/s1
InChIKeyHDFZPNPVWKNWBT-MRXNPFEDSA-N
MW300.41 g/mol
LogP1.37
Rot. Bonds3

About 6-[(1R)-2-(2,8-diazaspiro[4.5]decan-8-yl)-1-hydroxyethyl]-4-methylpyridine-3-carbonitrile

6-[(1R)-2-(2,8-diazaspiro[4.5]decan-8-yl)-1-hydroxyethyl]-4-methylpyridine-3-carbonitrile (PubChem CID 130466183) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 6-[(1R)-2-(2,8-diazaspiro[4.5]decan-8-yl)-1-hydroxyethyl]-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(1R)-2-(2,8-diazaspiro[4.5]decan-8-yl)-1-hydroxyethyl]-4-methylpyridine-3-carbonitrile
PubChem CID130466183
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name6-[(1R)-2-(2,8-diazaspiro[4.5]decan-8-yl)-1-hydroxyethyl]-4-methylpyridine-3-carbonitrile
SMILESCc1cc([C@H](O)CN2CCC3(CCNC3)CC2)ncc1C#N
InChIInChI=1S/C17H24N4O/c1-13-8-15(20-10-14(13)9-18)16(22)11-21-6-3-17(4-7-21)2-5-19-12-17/h8,10,16,19,22H,2-7,11-12H2,1H3/t16-/m1/s1
InChIKeyHDFZPNPVWKNWBT-MRXNPFEDSA-N
XLogP1.37
TPSA72.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[(1R)-2-(2,8-diazaspiro[4.5]decan-8-yl)-1-hydroxyethyl]-4-methylpyridine-3-carbonitrile with MolForge

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Related Compounds

6-[(1S)-1-hydroxy-2-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-4-methylpyridine-3-carbonitrile
CID 130466209
6-(1-hydroxy-2-piperazin-1-ylethyl)-4-methoxypyridine-3-carbonitrile
CID 59568649
6-[(1S)-1-hydroxy-2-[4-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperazin-1-yl]ethyl]-4-methylpyridine-3-carbonitrile
CID 91439958
6-[1-hydroxy-2-[4-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperazin-1-yl]ethyl]-4-methylpyridine-3-carbonitrile
CID 70833911
4-(2,8-diazaspiro[4.5]decan-8-yl)-6-fluoro-7-methoxyquinoline-3-carbonitrile;ethane
CID 157041023
8-ethyl-2,8-diazaspiro[4.5]decane
CID 46318290
8-[(3S)-3-(2,8-diazaspiro[4.5]decan-8-ylmethyl)-4-(trifluoromethyl)pyrrolidin-1-yl]quinoxaline-5-carbonitrile
CID 166711659
1-(2,7-diazaspiro[4.4]nonan-2-yl)butan-2-ol
CID 130525842
2-(8-azaspiro[4.5]decan-8-yl)-1-(3,4-dimethylphenyl)ethanol
CID 63159070
2-[(5-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120908225
5-chloro-4-[1-hydroxy-2-[2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-2-methylbenzonitrile
CID 130466200
4-methyl-6-[4-(piperazin-1-ylmethyl)triazol-2-yl]pyridine-3-carbonitrile
CID 156544456

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-2-(2,8-diazaspiro[4.5]decan-8-yl)-1-hydroxyethyl]-4-methylpyridine-3-carbonitrile?
The IUPAC name of 6-[(1R)-2-(2,8-diazaspiro[4.5]decan-8-yl)-1-hydroxyethyl]-4-methylpyridine-3-carbonitrile (CID 130466183) is 6-[(1R)-2-(2,8-diazaspiro[4.5]decan-8-yl)-1-hydroxyethyl]-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 6-[(1R)-2-(2,8-diazaspiro[4.5]decan-8-yl)-1-hydroxyethyl]-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 6-[(1R)-2-(2,8-diazaspiro[4.5]decan-8-yl)-1-hydroxyethyl]-4-methylpyridine-3-carbonitrile is Cc1cc([C@H](O)CN2CCC3(CCNC3)CC2)ncc1C#N.
What is the InChIKey of 6-[(1R)-2-(2,8-diazaspiro[4.5]decan-8-yl)-1-hydroxyethyl]-4-methylpyridine-3-carbonitrile?
The InChIKey is HDFZPNPVWKNWBT-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H24N4O/c1-13-8-15(20-10-14(13)9-18)16(22)11-21-6-3-17(4-7-21)2-5-19-12-17/h8,10,16,19,22H,2-7,11-12H2,1H3/t16-/m1/s1.
What are the key properties of 6-[(1R)-2-(2,8-diazaspiro[4.5]decan-8-yl)-1-hydroxyethyl]-4-methylpyridine-3-carbonitrile?
6-[(1R)-2-(2,8-diazaspiro[4.5]decan-8-yl)-1-hydroxyethyl]-4-methylpyridine-3-carbonitrile has a molecular weight of 300.41 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-2-(2,8-diazaspiro[4.5]decan-8-yl)-1-hydroxyethyl]-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 130466183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).