[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-pyridin-2-ylmethanone

C20H22N2O3 — CID 58548611

IUPAC[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)C1CC(Oc2ncccc2C2CCOCC2)C1
InChIInChI=1S/C20H22N2O3/c23-19(18-5-1-2-8-21-18)15-12-16(13-15)25-20-17(4-3-9-22-20)14-6-10-24-11-7-14/h1-5,8-9,14-16H,6-7,10-13H2
InChIKeyCIJFGRDZTRVOCJ-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.41
Rot. Bonds5

About [3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-pyridin-2-ylmethanone

[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-pyridin-2-ylmethanone (PubChem CID 58548611) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is [3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-pyridin-2-ylmethanone
PubChem CID58548611
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)C1CC(Oc2ncccc2C2CCOCC2)C1
InChIInChI=1S/C20H22N2O3/c23-19(18-5-1-2-8-21-18)15-12-16(13-15)25-20-17(4-3-9-22-20)14-6-10-24-11-7-14/h1-5,8-9,14-16H,6-7,10-13H2
InChIKeyCIJFGRDZTRVOCJ-UHFFFAOYSA-N
XLogP3.41
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-pyridin-2-ylmethanone?
The IUPAC name of [3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-pyridin-2-ylmethanone (CID 58548611) is [3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-pyridin-2-ylmethanone.
What is the SMILES notation for [3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-pyridin-2-ylmethanone?
The canonical SMILES for [3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-pyridin-2-ylmethanone is O=C(c1ccccn1)C1CC(Oc2ncccc2C2CCOCC2)C1.
What is the InChIKey of [3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-pyridin-2-ylmethanone?
The InChIKey is CIJFGRDZTRVOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-19(18-5-1-2-8-21-18)15-12-16(13-15)25-20-17(4-3-9-22-20)14-6-10-24-11-7-14/h1-5,8-9,14-16H,6-7,10-13H2.
What are the key properties of [3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-pyridin-2-ylmethanone?
[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-pyridin-2-ylmethanone has a molecular weight of 338.41 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-pyridin-2-ylmethanone is sourced from PubChem (CID 58548611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).