5-methyl-8-(pyridin-3-ylmethoxymethyl)-2-(pyridin-3-ylmethyl)-2,5-diazaspiro[3.5]nonane

C21H28N4O — CID 131644582

IUPAC5-methyl-8-(pyridin-3-ylmethoxymethyl)-2-(pyridin-3-ylmethyl)-2,5-diazaspiro[3.5]nonane
SMILESCN1CCC(COCc2cccnc2)CC12CN(Cc1cccnc1)C2
InChIInChI=1S/C21H28N4O/c1-24-9-6-18(14-26-15-20-5-3-8-23-12-20)10-21(24)16-25(17-21)13-19-4-2-7-22-11-19/h2-5,7-8,11-12,18H,6,9-10,13-17H2,1H3
InChIKeyALFDXVWZOQUAIG-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.59
Rot. Bonds6

About 5-methyl-8-(pyridin-3-ylmethoxymethyl)-2-(pyridin-3-ylmethyl)-2,5-diazaspiro[3.5]nonane

5-methyl-8-(pyridin-3-ylmethoxymethyl)-2-(pyridin-3-ylmethyl)-2,5-diazaspiro[3.5]nonane (PubChem CID 131644582) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 5-methyl-8-(pyridin-3-ylmethoxymethyl)-2-(pyridin-3-ylmethyl)-2,5-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name5-methyl-8-(pyridin-3-ylmethoxymethyl)-2-(pyridin-3-ylmethyl)-2,5-diazaspiro[3.5]nonane
PubChem CID131644582
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name5-methyl-8-(pyridin-3-ylmethoxymethyl)-2-(pyridin-3-ylmethyl)-2,5-diazaspiro[3.5]nonane
SMILESCN1CCC(COCc2cccnc2)CC12CN(Cc1cccnc1)C2
InChIInChI=1S/C21H28N4O/c1-24-9-6-18(14-26-15-20-5-3-8-23-12-20)10-21(24)16-25(17-21)13-19-4-2-7-22-11-19/h2-5,7-8,11-12,18H,6,9-10,13-17H2,1H3
InChIKeyALFDXVWZOQUAIG-UHFFFAOYSA-N
XLogP2.59
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-methyl-8-(pyridin-3-ylmethoxymethyl)-2-(pyridin-3-ylmethyl)-2,5-diazaspiro[3.5]nonane with MolForge

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Related Compounds

5-methyl-2-[(1-methylpyrazol-4-yl)methyl]-8-(pyridin-3-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonane;tris(2,2,2-trifluoroacetic acid)
CID 155856065
5-methyl-2-(pyridin-3-ylmethyl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane
CID 131662338
(1-methylpyrazol-4-yl)-[5-methyl-8-(pyridin-3-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone
CID 133137730
(1-methylpyrazol-3-yl)-[5-methyl-8-(pyridin-3-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone
CID 133141638
[5-methyl-8-(pyridin-3-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-(1H-pyrazol-5-yl)methanone
CID 131671745
5-methyl-8-(pyridin-4-ylmethoxymethyl)-2-(thiophen-3-ylmethyl)-2,5-diazaspiro[3.5]nonane
CID 131678470
5-methyl-2-(pyridin-3-ylmethyl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane;tetrakis(2,2,2-trifluoroacetic acid)
CID 155842696
(8S)-5-methyl-8-(pyridin-2-ylmethoxymethyl)-2-(pyridin-2-ylmethyl)-2,5-diazaspiro[3.5]nonane
CID 124821477
4-methyl-2-[[5-methyl-8-(pyridin-4-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methyl]-1,3-thiazole
CID 131677507
8-(ethoxymethyl)-5-methyl-2-(thiophen-3-ylmethyl)-2,5-diazaspiro[3.5]nonane
CID 131678334
(8S)-8-(pyridin-3-ylmethoxymethyl)-2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124796490
[5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-3-ylmethanone
CID 131669215

Frequently Asked Questions

What is the IUPAC name of 5-methyl-8-(pyridin-3-ylmethoxymethyl)-2-(pyridin-3-ylmethyl)-2,5-diazaspiro[3.5]nonane?
The IUPAC name of 5-methyl-8-(pyridin-3-ylmethoxymethyl)-2-(pyridin-3-ylmethyl)-2,5-diazaspiro[3.5]nonane (CID 131644582) is 5-methyl-8-(pyridin-3-ylmethoxymethyl)-2-(pyridin-3-ylmethyl)-2,5-diazaspiro[3.5]nonane.
What is the SMILES notation for 5-methyl-8-(pyridin-3-ylmethoxymethyl)-2-(pyridin-3-ylmethyl)-2,5-diazaspiro[3.5]nonane?
The canonical SMILES for 5-methyl-8-(pyridin-3-ylmethoxymethyl)-2-(pyridin-3-ylmethyl)-2,5-diazaspiro[3.5]nonane is CN1CCC(COCc2cccnc2)CC12CN(Cc1cccnc1)C2.
What is the InChIKey of 5-methyl-8-(pyridin-3-ylmethoxymethyl)-2-(pyridin-3-ylmethyl)-2,5-diazaspiro[3.5]nonane?
The InChIKey is ALFDXVWZOQUAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-24-9-6-18(14-26-15-20-5-3-8-23-12-20)10-21(24)16-25(17-21)13-19-4-2-7-22-11-19/h2-5,7-8,11-12,18H,6,9-10,13-17H2,1H3.
What are the key properties of 5-methyl-8-(pyridin-3-ylmethoxymethyl)-2-(pyridin-3-ylmethyl)-2,5-diazaspiro[3.5]nonane?
5-methyl-8-(pyridin-3-ylmethoxymethyl)-2-(pyridin-3-ylmethyl)-2,5-diazaspiro[3.5]nonane has a molecular weight of 352.48 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-8-(pyridin-3-ylmethoxymethyl)-2-(pyridin-3-ylmethyl)-2,5-diazaspiro[3.5]nonane is sourced from PubChem (CID 131644582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).