N-methyl-N-(pyridin-2-ylmethyl)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine

C21H28N4O — CID 118741185

IUPACN-methyl-N-(pyridin-2-ylmethyl)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCN(Cc1ccccn1)C1COC2(CCN(Cc3cccnc3)CC2)C1
InChIInChI=1S/C21H28N4O/c1-24(16-19-6-2-3-10-23-19)20-13-21(26-17-20)7-11-25(12-8-21)15-18-5-4-9-22-14-18/h2-6,9-10,14,20H,7-8,11-13,15-17H2,1H3
InChIKeyWLWGRUJLCQGPOD-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.73
Rot. Bonds5

About N-methyl-N-(pyridin-2-ylmethyl)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine

N-methyl-N-(pyridin-2-ylmethyl)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 118741185) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-methyl-N-(pyridin-2-ylmethyl)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound NameN-methyl-N-(pyridin-2-ylmethyl)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
PubChem CID118741185
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-methyl-N-(pyridin-2-ylmethyl)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCN(Cc1ccccn1)C1COC2(CCN(Cc3cccnc3)CC2)C1
InChIInChI=1S/C21H28N4O/c1-24(16-19-6-2-3-10-23-19)20-13-21(26-17-20)7-11-25(12-8-21)15-18-5-4-9-22-14-18/h2-6,9-10,14,20H,7-8,11-13,15-17H2,1H3
InChIKeyWLWGRUJLCQGPOD-UHFFFAOYSA-N
XLogP2.73
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-(pyridin-2-ylmethyl)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyridin-2-ylmethyl)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of N-methyl-N-(pyridin-2-ylmethyl)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 118741185) is N-methyl-N-(pyridin-2-ylmethyl)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for N-methyl-N-(pyridin-2-ylmethyl)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for N-methyl-N-(pyridin-2-ylmethyl)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine is CN(Cc1ccccn1)C1COC2(CCN(Cc3cccnc3)CC2)C1.
What is the InChIKey of N-methyl-N-(pyridin-2-ylmethyl)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The InChIKey is WLWGRUJLCQGPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-24(16-19-6-2-3-10-23-19)20-13-21(26-17-20)7-11-25(12-8-21)15-18-5-4-9-22-14-18/h2-6,9-10,14,20H,7-8,11-13,15-17H2,1H3.
What are the key properties of N-methyl-N-(pyridin-2-ylmethyl)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
N-methyl-N-(pyridin-2-ylmethyl)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine has a molecular weight of 352.48 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pyridin-2-ylmethyl)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 118741185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).