2-(pyridin-2-ylmethyl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane

C19H23N3O2 — CID 131649467

IUPAC2-(pyridin-2-ylmethyl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane
SMILESc1ccc(CN2CC3(C2)OCCC3CCOc2cccnc2)nc1
InChIInChI=1S/C19H23N3O2/c1-2-9-21-17(4-1)13-22-14-19(15-22)16(7-11-24-19)6-10-23-18-5-3-8-20-12-18/h1-5,8-9,12,16H,6-7,10-11,13-15H2
InChIKeyKTQUSTPVBYWFDA-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.54
Rot. Bonds6

About 2-(pyridin-2-ylmethyl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane

2-(pyridin-2-ylmethyl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane (PubChem CID 131649467) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(pyridin-2-ylmethyl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name2-(pyridin-2-ylmethyl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane
PubChem CID131649467
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-(pyridin-2-ylmethyl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane
SMILESc1ccc(CN2CC3(C2)OCCC3CCOc2cccnc2)nc1
InChIInChI=1S/C19H23N3O2/c1-2-9-21-17(4-1)13-22-14-19(15-22)16(7-11-24-19)6-10-23-18-5-3-8-20-12-18/h1-5,8-9,12,16H,6-7,10-11,13-15H2
InChIKeyKTQUSTPVBYWFDA-UHFFFAOYSA-N
XLogP2.54
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(8R)-2-(pyridin-2-ylmethyl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124814207
(8S)-8-[2-(pyridin-2-ylmethoxy)ethyl]-2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124798743
(8R)-2-cyclopropylsulfonyl-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124779502
(8R)-2-(pyridin-4-ylmethyl)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124789845
(8S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124811935
4-[2-(pyridin-2-ylmethoxy)ethyl]-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 131658499
(8S)-2-[(2-methoxy-3-pyridinyl)methyl]-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane
CID 124796905
(2-methylpyrazol-3-yl)-[8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 133143459
4-(2-pyridin-3-yloxyethyl)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 131677503
2-cyclopentyloxy-1-[(8R)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124785982
(8S)-8-[2-(pyridin-4-ylmethoxy)ethyl]-2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124790929
(3-methylfuran-2-yl)-[8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131669328

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylmethyl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane?
The IUPAC name of 2-(pyridin-2-ylmethyl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane (CID 131649467) is 2-(pyridin-2-ylmethyl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for 2-(pyridin-2-ylmethyl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for 2-(pyridin-2-ylmethyl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane is c1ccc(CN2CC3(C2)OCCC3CCOc2cccnc2)nc1.
What is the InChIKey of 2-(pyridin-2-ylmethyl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane?
The InChIKey is KTQUSTPVBYWFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-9-21-17(4-1)13-22-14-19(15-22)16(7-11-24-19)6-10-23-18-5-3-8-20-12-18/h1-5,8-9,12,16H,6-7,10-11,13-15H2.
What are the key properties of 2-(pyridin-2-ylmethyl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane?
2-(pyridin-2-ylmethyl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane has a molecular weight of 325.41 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylmethyl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 131649467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).