[8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone

C20H24N4O3 — CID 131639064

IUPAC[8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone
SMILESO=C(c1ncccn1)N1CC2(CC(CCOCc3ccncc3)CCO2)C1
InChIInChI=1S/C20H24N4O3/c25-19(18-22-6-1-7-23-18)24-14-20(15-24)12-16(5-11-27-20)4-10-26-13-17-2-8-21-9-3-17/h1-3,6-9,16H,4-5,10-15H2
InChIKeyNXPAHVCONQWTRP-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.10
Rot. Bonds6

About [8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone

[8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone (PubChem CID 131639064) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is [8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name[8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone
PubChem CID131639064
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name[8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone
SMILESO=C(c1ncccn1)N1CC2(CC(CCOCc3ccncc3)CCO2)C1
InChIInChI=1S/C20H24N4O3/c25-19(18-22-6-1-7-23-18)24-14-20(15-24)12-16(5-11-27-20)4-10-26-13-17-2-8-21-9-3-17/h1-3,6-9,16H,4-5,10-15H2
InChIKeyNXPAHVCONQWTRP-UHFFFAOYSA-N
XLogP2.10
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-[2-(pyridin-4-ylmethoxy)ethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
CID 131642153
8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane
CID 133140989
cyclopent-3-en-1-yl-[(8R)-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124787528
[8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone
CID 131645055
[(8S)-8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-4-ylmethanone
CID 124796510
furan-3-yl-[(8S)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124795434
[8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 133144911
8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-(pyridin-4-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane;tris(2,2,2-trifluoroacetic acid)
CID 155845908
[(8R)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone
CID 124791257
[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 131642458
[(8S)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 124806988
(4-methylphenyl)-[(8S)-8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124822248

Frequently Asked Questions

What is the IUPAC name of [8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone?
The IUPAC name of [8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone (CID 131639064) is [8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone.
What is the SMILES notation for [8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone?
The canonical SMILES for [8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone is O=C(c1ncccn1)N1CC2(CC(CCOCc3ccncc3)CCO2)C1.
What is the InChIKey of [8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone?
The InChIKey is NXPAHVCONQWTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c25-19(18-22-6-1-7-23-18)24-14-20(15-24)12-16(5-11-27-20)4-10-26-13-17-2-8-21-9-3-17/h1-3,6-9,16H,4-5,10-15H2.
What are the key properties of [8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone?
[8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone has a molecular weight of 368.44 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone is sourced from PubChem (CID 131639064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).