8-(pyridin-3-ylmethoxy)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane

C19H23N3O2 — CID 131638400

IUPAC8-(pyridin-3-ylmethoxy)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
SMILESc1ccc(CN2CC3(CC(OCc4cccnc4)CCO3)C2)nc1
InChIInChI=1S/C19H23N3O2/c1-2-8-21-17(5-1)12-22-14-19(15-22)10-18(6-9-24-19)23-13-16-4-3-7-20-11-16/h1-5,7-8,11,18H,6,9-10,12-15H2
InChIKeyXHCSPIAECGQUJX-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.43
Rot. Bonds5

About 8-(pyridin-3-ylmethoxy)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane

8-(pyridin-3-ylmethoxy)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 131638400) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 8-(pyridin-3-ylmethoxy)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name8-(pyridin-3-ylmethoxy)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
PubChem CID131638400
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name8-(pyridin-3-ylmethoxy)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
SMILESc1ccc(CN2CC3(CC(OCc4cccnc4)CCO3)C2)nc1
InChIInChI=1S/C19H23N3O2/c1-2-8-21-17(5-1)12-22-14-19(15-22)10-18(6-9-24-19)23-13-16-4-3-7-20-11-16/h1-5,7-8,11,18H,6,9-10,12-15H2
InChIKeyXHCSPIAECGQUJX-UHFFFAOYSA-N
XLogP2.43
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(pyridin-3-ylmethoxy)-7-(pyridin-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane
CID 134071058
(8S)-2-(furan-2-ylmethyl)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 124804079
(8R)-8-methoxy-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124802664
(8R)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 124805402
cyclopent-3-en-1-yl-[8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 133136522
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 133137346
(2-methoxy-3-pyridinyl)-[(8S)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124789150
2-[[2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-1-pyrrolidin-1-ylethanone
CID 131650208
2-[(2-methoxy-3-pyridinyl)methyl]-8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane
CID 133137575
2-(oxan-4-yl)-8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 131648833
1-[8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-pyridin-2-ylethanone
CID 133142918
2-(4-fluorophenyl)-1-[(8S)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124794398

Frequently Asked Questions

What is the IUPAC name of 8-(pyridin-3-ylmethoxy)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of 8-(pyridin-3-ylmethoxy)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane (CID 131638400) is 8-(pyridin-3-ylmethoxy)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for 8-(pyridin-3-ylmethoxy)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for 8-(pyridin-3-ylmethoxy)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane is c1ccc(CN2CC3(CC(OCc4cccnc4)CCO3)C2)nc1.
What is the InChIKey of 8-(pyridin-3-ylmethoxy)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is XHCSPIAECGQUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-8-21-17(5-1)12-22-14-19(15-22)10-18(6-9-24-19)23-13-16-4-3-7-20-11-16/h1-5,7-8,11,18H,6,9-10,12-15H2.
What are the key properties of 8-(pyridin-3-ylmethoxy)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane?
8-(pyridin-3-ylmethoxy)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 325.41 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(pyridin-3-ylmethoxy)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 131638400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).