[5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-2-ylmethanone

C21H26N4O2 — CID 131669217

IUPAC[5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-2-ylmethanone
SMILESCN1CCC(COCc2ccccn2)CC12CN(C(=O)c1ccccn1)C2
InChIInChI=1S/C21H26N4O2/c1-24-11-8-17(13-27-14-18-6-2-4-9-22-18)12-21(24)15-25(16-21)20(26)19-7-3-5-10-23-19/h2-7,9-10,17H,8,11-16H2,1H3
InChIKeySPVYZWRVNLRQMX-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.23
Rot. Bonds5

About [5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-2-ylmethanone

[5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-2-ylmethanone (PubChem CID 131669217) has the molecular formula C21H26N4O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is [5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-2-ylmethanone
PubChem CID131669217
Molecular FormulaC21H26N4O2
Molecular Weight366.46 g/mol
Exact Mass366.21
IUPAC Name[5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-2-ylmethanone
SMILESCN1CCC(COCc2ccccn2)CC12CN(C(=O)c1ccccn1)C2
InChIInChI=1S/C21H26N4O2/c1-24-11-8-17(13-27-14-18-6-2-4-9-22-18)12-21(24)15-25(16-21)20(26)19-7-3-5-10-23-19/h2-7,9-10,17H,8,11-16H2,1H3
InChIKeySPVYZWRVNLRQMX-UHFFFAOYSA-N
XLogP2.23
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-pyridazin-4-ylmethanone
CID 131671768
[5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-3-ylmethanone
CID 131669215
(8S)-5-methyl-8-(pyridin-2-ylmethoxymethyl)-2-(pyridin-2-ylmethyl)-2,5-diazaspiro[3.5]nonane
CID 124821477
5-methyl-2-propylsulfonyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonane
CID 131671777
(6-methyl-2-pyridinyl)-[(8R)-5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone
CID 124817651
2-(5-fluoropyrimidin-2-yl)-5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonane;tris(2,2,2-trifluoroacetic acid)
CID 155832108
[8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-pyrazin-2-ylmethanone
CID 131671724
(5-methyl-1,2-oxazol-3-yl)-[(8S)-5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone
CID 124814269
(1-methylpyrazol-3-yl)-[5-methyl-8-(pyridin-3-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone
CID 133141638
[(8S)-8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-4-ylmethanone
CID 124813600
[(8R)-5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone
CID 124816295
(6-methyl-3-pyridinyl)-[(8R)-5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone
CID 124817783

Frequently Asked Questions

What is the IUPAC name of [5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-2-ylmethanone?
The IUPAC name of [5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-2-ylmethanone (CID 131669217) is [5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-2-ylmethanone is CN1CCC(COCc2ccccn2)CC12CN(C(=O)c1ccccn1)C2.
What is the InChIKey of [5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-2-ylmethanone?
The InChIKey is SPVYZWRVNLRQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-24-11-8-17(13-27-14-18-6-2-4-9-22-18)12-21(24)15-25(16-21)20(26)19-7-3-5-10-23-19/h2-7,9-10,17H,8,11-16H2,1H3.
What are the key properties of [5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-2-ylmethanone?
[5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-2-ylmethanone has a molecular weight of 366.46 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 131669217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).