[8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyrimidin-2-ylmethanone

C17H18N4O3 — CID 133143433

IUPAC[8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyrimidin-2-ylmethanone
SMILESO=C(c1ncccn1)N1CC2(C1)OCCC2COc1cccnc1
InChIInChI=1S/C17H18N4O3/c22-16(15-19-6-2-7-20-15)21-11-17(12-21)13(4-8-24-17)10-23-14-3-1-5-18-9-14/h1-3,5-7,9,13H,4,8,10-12H2
InChIKeyRTWURXFYVCUXGX-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.18
Rot. Bonds4

About [8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyrimidin-2-ylmethanone

[8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyrimidin-2-ylmethanone (PubChem CID 133143433) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is [8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name[8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyrimidin-2-ylmethanone
PubChem CID133143433
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name[8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyrimidin-2-ylmethanone
SMILESO=C(c1ncccn1)N1CC2(C1)OCCC2COc1cccnc1
InChIInChI=1S/C17H18N4O3/c22-16(15-19-6-2-7-20-15)21-11-17(12-21)13(4-8-24-17)10-23-14-3-1-5-18-9-14/h1-3,5-7,9,13H,4,8,10-12H2
InChIKeyRTWURXFYVCUXGX-UHFFFAOYSA-N
XLogP1.18
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxamide
CID 131643241
[8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-thiophen-3-ylmethanone
CID 131640761
[(8S)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 124788339
2-(4-methylphenoxy)-1-[(8S)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124816385
2-cyclopropyl-1-[8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155866399
1-[8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]pentan-1-one;2,2,2-trifluoroacetic acid
CID 155863896
(8R)-2-(pyridin-4-ylmethyl)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124789845
(2-methylpyrazol-3-yl)-[8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 133143459
(8R)-2-(oxan-4-ylmethyl)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124893160
[8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyridazin-4-ylmethanone
CID 131640418
(3-methylfuran-2-yl)-[8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131669328
[(8R)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone
CID 124791257

Frequently Asked Questions

What is the IUPAC name of [8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyrimidin-2-ylmethanone?
The IUPAC name of [8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyrimidin-2-ylmethanone (CID 133143433) is [8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyrimidin-2-ylmethanone.
What is the SMILES notation for [8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyrimidin-2-ylmethanone?
The canonical SMILES for [8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyrimidin-2-ylmethanone is O=C(c1ncccn1)N1CC2(C1)OCCC2COc1cccnc1.
What is the InChIKey of [8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyrimidin-2-ylmethanone?
The InChIKey is RTWURXFYVCUXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c22-16(15-19-6-2-7-20-15)21-11-17(12-21)13(4-8-24-17)10-23-14-3-1-5-18-9-14/h1-3,5-7,9,13H,4,8,10-12H2.
What are the key properties of [8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyrimidin-2-ylmethanone?
[8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyrimidin-2-ylmethanone has a molecular weight of 326.36 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyrimidin-2-ylmethanone is sourced from PubChem (CID 133143433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).