[(8R)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone

C17H18N4O3 — CID 124791257

IUPAC[(8R)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone
SMILESO=C(c1ncccn1)N1CC2(C[C@H](Oc3cccnc3)CCO2)C1
InChIInChI=1S/C17H18N4O3/c22-16(15-19-6-2-7-20-15)21-11-17(12-21)9-13(4-8-23-17)24-14-3-1-5-18-10-14/h1-3,5-7,10,13H,4,8-9,11-12H2/t13-/m1/s1
InChIKeyGKFNHYAIKJHBST-CYBMUJFWSA-N
MW326.36 g/mol
LogP1.32
Rot. Bonds3

About [(8R)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone

[(8R)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone (PubChem CID 124791257) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is [(8R)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name[(8R)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone
PubChem CID124791257
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name[(8R)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone
SMILESO=C(c1ncccn1)N1CC2(C[C@H](Oc3cccnc3)CCO2)C1
InChIInChI=1S/C17H18N4O3/c22-16(15-19-6-2-7-20-15)21-11-17(12-21)9-13(4-8-23-17)24-14-3-1-5-18-10-14/h1-3,5-7,10,13H,4,8-9,11-12H2/t13-/m1/s1
InChIKeyGKFNHYAIKJHBST-CYBMUJFWSA-N
XLogP1.32
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-oxazol-4-yl-(8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 131648731
(2,5-dimethylfuran-3-yl)-(8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 131660860
(2,5-dimethylfuran-3-yl)-(8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155843658
[8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyrimidin-2-ylmethanone
CID 133143433
[(8S)-8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyridazin-4-ylmethanone
CID 124792892
3-(2-methylphenyl)-1-(8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-one;2,2,2-trifluoroacetic acid
CID 155832211
1,3-oxazol-4-yl-(8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 133139925
[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,2-oxazol-4-yl)methanone
CID 133142243
(8S)-2-(6-methylpyridazin-3-yl)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 124797999
(5-methylpyrazin-2-yl)-(8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 131649493
(2-methoxy-3-pyridinyl)-[(8S)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124789150
2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 131653298

Frequently Asked Questions

What is the IUPAC name of [(8R)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone?
The IUPAC name of [(8R)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone (CID 124791257) is [(8R)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone.
What is the SMILES notation for [(8R)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone?
The canonical SMILES for [(8R)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone is O=C(c1ncccn1)N1CC2(C[C@H](Oc3cccnc3)CCO2)C1.
What is the InChIKey of [(8R)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone?
The InChIKey is GKFNHYAIKJHBST-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18N4O3/c22-16(15-19-6-2-7-20-15)21-11-17(12-21)9-13(4-8-23-17)24-14-3-1-5-18-10-14/h1-3,5-7,10,13H,4,8-9,11-12H2/t13-/m1/s1.
What are the key properties of [(8R)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone?
[(8R)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone has a molecular weight of 326.36 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(8R)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone is sourced from PubChem (CID 124791257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).