5-[[2-[(6-cyano-3-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]pyridine-2-carbonitrile

C22H24N6 — CID 166276286

IUPAC5-[[2-[(6-cyano-3-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(CN2CCC3(CC2)CCN(Cc2ccc(C#N)nc2)C3)cn1
InChIInChI=1S/C22H24N6/c23-11-20-3-1-18(13-25-20)15-27-8-5-22(6-9-27)7-10-28(17-22)16-19-2-4-21(12-24)26-14-19/h1-4,13-14H,5-10,15-17H2
InChIKeyXSKOKHSAQBCSMV-UHFFFAOYSA-N
MW372.48 g/mol
LogP2.71
Rot. Bonds4

About 5-[[2-[(6-cyano-3-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]pyridine-2-carbonitrile

5-[[2-[(6-cyano-3-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]pyridine-2-carbonitrile (PubChem CID 166276286) has the molecular formula C22H24N6 and a molecular weight of 372.48 g/mol. Its IUPAC name is 5-[[2-[(6-cyano-3-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[2-[(6-cyano-3-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]pyridine-2-carbonitrile
PubChem CID166276286
Molecular FormulaC22H24N6
Molecular Weight372.48 g/mol
Exact Mass372.21
IUPAC Name5-[[2-[(6-cyano-3-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(CN2CCC3(CC2)CCN(Cc2ccc(C#N)nc2)C3)cn1
InChIInChI=1S/C22H24N6/c23-11-20-3-1-18(13-25-20)15-27-8-5-22(6-9-27)7-10-28(17-22)16-19-2-4-21(12-24)26-14-19/h1-4,13-14H,5-10,15-17H2
InChIKeyXSKOKHSAQBCSMV-UHFFFAOYSA-N
XLogP2.71
TPSA79.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(6-cyano-3-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]pyridine-2-carbonitrile?
The IUPAC name of 5-[[2-[(6-cyano-3-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]pyridine-2-carbonitrile (CID 166276286) is 5-[[2-[(6-cyano-3-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[[2-[(6-cyano-3-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[[2-[(6-cyano-3-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]pyridine-2-carbonitrile is N#Cc1ccc(CN2CCC3(CC2)CCN(Cc2ccc(C#N)nc2)C3)cn1.
What is the InChIKey of 5-[[2-[(6-cyano-3-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]pyridine-2-carbonitrile?
The InChIKey is XSKOKHSAQBCSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6/c23-11-20-3-1-18(13-25-20)15-27-8-5-22(6-9-27)7-10-28(17-22)16-19-2-4-21(12-24)26-14-19/h1-4,13-14H,5-10,15-17H2.
What are the key properties of 5-[[2-[(6-cyano-3-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]pyridine-2-carbonitrile?
5-[[2-[(6-cyano-3-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]pyridine-2-carbonitrile has a molecular weight of 372.48 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(6-cyano-3-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 166276286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).