(4-methyl-2-pyridinyl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone

C20H23N3O3 — CID 133136934

IUPAC(4-methyl-2-pyridinyl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
SMILESCc1ccnc(C(=O)N2CC3(CC(OCc4ccccn4)CCO3)C2)c1
InChIInChI=1S/C20H23N3O3/c1-15-5-8-22-18(10-15)19(24)23-13-20(14-23)11-17(6-9-26-20)25-12-16-4-2-3-7-21-16/h2-5,7-8,10,17H,6,9,11-14H2,1H3
InChIKeyRGVLQFSBJCNVFZ-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.38
Rot. Bonds4

About (4-methyl-2-pyridinyl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone

(4-methyl-2-pyridinyl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (PubChem CID 133136934) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (4-methyl-2-pyridinyl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.

Molecular Properties

Compound Name(4-methyl-2-pyridinyl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
PubChem CID133136934
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name(4-methyl-2-pyridinyl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
SMILESCc1ccnc(C(=O)N2CC3(CC(OCc4ccccn4)CCO3)C2)c1
InChIInChI=1S/C20H23N3O3/c1-15-5-8-22-18(10-15)19(24)23-13-20(14-23)11-17(6-9-26-20)25-12-16-4-2-3-7-21-16/h2-5,7-8,10,17H,6,9,11-14H2,1H3
InChIKeyRGVLQFSBJCNVFZ-UHFFFAOYSA-N
XLogP2.38
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-methyl-2-pyridinyl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(4-methylphenyl)-[(8R)-8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124821748
(2,6-dimethyl-4-pyridinyl)-[(8S)-8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124797141
(3-methyl-1,2-oxazol-5-yl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131650035
[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone
CID 131656071
(3-hydroxyphenyl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131692889
2-(4-methylphenyl)-1-[(8R)-8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124794996
(3-methyl-1-benzofuran-2-yl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131692617
1-adamantyl-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131692888
[(8R)-8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 124795839
1-[8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-pyridin-2-ylethanone
CID 133142918
(5-methyl-2-pyridinyl)-[(8S)-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124913592
(3-methylphenyl)-[8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131692625

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-pyridinyl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
The IUPAC name of (4-methyl-2-pyridinyl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (CID 133136934) is (4-methyl-2-pyridinyl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.
What is the SMILES notation for (4-methyl-2-pyridinyl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
The canonical SMILES for (4-methyl-2-pyridinyl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is Cc1ccnc(C(=O)N2CC3(CC(OCc4ccccn4)CCO3)C2)c1.
What is the InChIKey of (4-methyl-2-pyridinyl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
The InChIKey is RGVLQFSBJCNVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-15-5-8-22-18(10-15)19(24)23-13-20(14-23)11-17(6-9-26-20)25-12-16-4-2-3-7-21-16/h2-5,7-8,10,17H,6,9,11-14H2,1H3.
What are the key properties of (4-methyl-2-pyridinyl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
(4-methyl-2-pyridinyl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone has a molecular weight of 353.42 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-pyridinyl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is sourced from PubChem (CID 133136934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).