pyridin-3-yl-[(3S)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone

C20H23N3O3 — CID 97418449

IUPACpyridin-3-yl-[(3S)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESO=C(c1cccnc1)N1CCC2(CC1)CO[C@H](COc1ccccn1)C2
InChIInChI=1S/C20H23N3O3/c24-19(16-4-3-8-21-13-16)23-10-6-20(7-11-23)12-17(26-15-20)14-25-18-5-1-2-9-22-18/h1-5,8-9,13,17H,6-7,10-12,14-15H2/t17-/m0/s1
InChIKeyLOPNBMVZIGXOSB-KRWDZBQOSA-N
MW353.42 g/mol
LogP2.57
Rot. Bonds4

About pyridin-3-yl-[(3S)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone

pyridin-3-yl-[(3S)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone (PubChem CID 97418449) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is pyridin-3-yl-[(3S)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Namepyridin-3-yl-[(3S)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
PubChem CID97418449
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Namepyridin-3-yl-[(3S)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESO=C(c1cccnc1)N1CCC2(CC1)CO[C@H](COc1ccccn1)C2
InChIInChI=1S/C20H23N3O3/c24-19(16-4-3-8-21-13-16)23-10-6-20(7-11-23)12-17(26-15-20)14-25-18-5-1-2-9-22-18/h1-5,8-9,13,17H,6-7,10-12,14-15H2/t17-/m0/s1
InChIKeyLOPNBMVZIGXOSB-KRWDZBQOSA-N
XLogP2.57
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

pyridin-4-yl-[3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 131658723
(1-methylpyrrol-2-yl)-[3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 118745219
[3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155837995
furan-3-yl-[3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 131644782
[(3R)-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone
CID 97422987
[3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone
CID 131643944
(3R)-8-cyclopropylsulfonyl-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 97418466
cyclohexen-1-yl-[3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 131658739
2-cyclopentyl-1-[(3S)-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 97418347
furan-3-yl-[(3R)-3-(pyridin-2-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418404
[(3R)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone
CID 125017858
8-(furan-3-ylmethyl)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 131655040

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-[(3S)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of pyridin-3-yl-[(3S)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone (CID 97418449) is pyridin-3-yl-[(3S)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for pyridin-3-yl-[(3S)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for pyridin-3-yl-[(3S)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone is O=C(c1cccnc1)N1CCC2(CC1)CO[C@H](COc1ccccn1)C2.
What is the InChIKey of pyridin-3-yl-[(3S)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The InChIKey is LOPNBMVZIGXOSB-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-19(16-4-3-8-21-13-16)23-10-6-20(7-11-23)12-17(26-15-20)14-25-18-5-1-2-9-22-18/h1-5,8-9,13,17H,6-7,10-12,14-15H2/t17-/m0/s1.
What are the key properties of pyridin-3-yl-[(3S)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
pyridin-3-yl-[(3S)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone has a molecular weight of 353.42 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl-[(3S)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 97418449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).