(6-cyclopentyloxy-3-pyridinyl)-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]methanone

C20H23N3O3 — CID 163353377

IUPAC(6-cyclopentyloxy-3-pyridinyl)-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]methanone
SMILESCc1cc(OC2CN(C(=O)c3ccc(OC4CCCC4)nc3)C2)ccn1
InChIInChI=1S/C20H23N3O3/c1-14-10-17(8-9-21-14)25-18-12-23(13-18)20(24)15-6-7-19(22-11-15)26-16-4-2-3-5-16/h6-11,16,18H,2-5,12-13H2,1H3
InChIKeyZQKRGNLRSULRPU-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.01
Rot. Bonds5

About (6-cyclopentyloxy-3-pyridinyl)-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]methanone

(6-cyclopentyloxy-3-pyridinyl)-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]methanone (PubChem CID 163353377) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (6-cyclopentyloxy-3-pyridinyl)-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(6-cyclopentyloxy-3-pyridinyl)-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]methanone
PubChem CID163353377
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name(6-cyclopentyloxy-3-pyridinyl)-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]methanone
SMILESCc1cc(OC2CN(C(=O)c3ccc(OC4CCCC4)nc3)C2)ccn1
InChIInChI=1S/C20H23N3O3/c1-14-10-17(8-9-21-14)25-18-12-23(13-18)20(24)15-6-7-19(22-11-15)26-16-4-2-3-5-16/h6-11,16,18H,2-5,12-13H2,1H3
InChIKeyZQKRGNLRSULRPU-UHFFFAOYSA-N
XLogP3.01
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-cyclopentyloxy-3-pyridinyl)-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]methanone?
The IUPAC name of (6-cyclopentyloxy-3-pyridinyl)-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]methanone (CID 163353377) is (6-cyclopentyloxy-3-pyridinyl)-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]methanone.
What is the SMILES notation for (6-cyclopentyloxy-3-pyridinyl)-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]methanone?
The canonical SMILES for (6-cyclopentyloxy-3-pyridinyl)-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]methanone is Cc1cc(OC2CN(C(=O)c3ccc(OC4CCCC4)nc3)C2)ccn1.
What is the InChIKey of (6-cyclopentyloxy-3-pyridinyl)-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]methanone?
The InChIKey is ZQKRGNLRSULRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14-10-17(8-9-21-14)25-18-12-23(13-18)20(24)15-6-7-19(22-11-15)26-16-4-2-3-5-16/h6-11,16,18H,2-5,12-13H2,1H3.
What are the key properties of (6-cyclopentyloxy-3-pyridinyl)-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]methanone?
(6-cyclopentyloxy-3-pyridinyl)-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]methanone has a molecular weight of 353.42 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-cyclopentyloxy-3-pyridinyl)-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]methanone is sourced from PubChem (CID 163353377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).