[7-[(5-chloro-3-methyl-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

C20H27ClN2O3 — CID 164710279

About [7-[(5-chloro-3-methyl-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

[7-[(5-chloro-3-methyl-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (PubChem CID 164710279) has the molecular formula C20H27ClN2O3 and a molecular weight of 378.90 g/mol. Its IUPAC name is [7-[(5-chloro-3-methyl-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.

Molecular Properties

• Compound Name: [7-[(5-chloro-3-methyl-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
• PubChem CID: 164710279
• Molecular Formula: C20H27ClN2O3
• Molecular Weight: 378.90 g/mol
• Exact Mass: 378.17
• IUPAC Name: [7-[(5-chloro-3-methyl-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
• SMILES: Cc1cc(Cl)cnc1OC1CCC2(CC1)CN(C(=O)C1CC(C)(O)C1)C2
• InChI: InChI=1S/C20H27ClN2O3/c1-13-7-15(21)10-22-17(13)26-16-3-5-20(6-4-16)11-23(12-20)18(24)14-8-19(2,25)9-14/h7,10,14,16,25H,3-6,8-9,11-12H2,1-2H3
• InChIKey: UYDVTGKAZHZSHP-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 62.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.90
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [7-[(5-chloro-3-methyl-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?

The IUPAC name of [7-[(5-chloro-3-methyl-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (CID 164710279) is [7-[(5-chloro-3-methyl-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.

What is the SMILES notation for [7-[(5-chloro-3-methyl-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?

The canonical SMILES for [7-[(5-chloro-3-methyl-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is Cc1cc(Cl)cnc1OC1CCC2(CC1)CN(C(=O)C1CC(C)(O)C1)C2.

What is the InChIKey of [7-[(5-chloro-3-methyl-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?

The InChIKey is UYDVTGKAZHZSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O3/c1-13-7-15(21)10-22-17(13)26-16-3-5-20(6-4-16)11-23(12-20)18(24)14-8-19(2,25)9-14/h7,10,14,16,25H,3-6,8-9,11-12H2,1-2H3.

What are the key properties of [7-[(5-chloro-3-methyl-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?

[7-[(5-chloro-3-methyl-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone has a molecular weight of 378.90 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [7-[(5-chloro-3-methyl-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is sourced from PubChem (CID 164710279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).