[(8R)-8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone

C20H25N3O3 — CID 124817858

About [(8R)-8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone

[(8R)-8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone (PubChem CID 124817858) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is [(8R)-8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

• Compound Name: [(8R)-8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone
• PubChem CID: 124817858
• Molecular Formula: C20H25N3O3
• Molecular Weight: 355.44 g/mol
• Exact Mass: 355.19
• IUPAC Name: [(8R)-8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone
• SMILES: Cc1cccc(CO[C@@H]2CCOC3(C2)CN(C(=O)c2cccn2C)C3)n1
• InChI: InChI=1S/C20H25N3O3/c1-15-5-3-6-16(21-15)12-25-17-8-10-26-20(11-17)13-23(14-20)19(24)18-7-4-9-22(18)2/h3-7,9,17H,8,10-14H2,1-2H3/t17-/m1/s1
• InChIKey: MEWHXNWQYANNPA-QGZVFWFLSA-N
• XLogP: 2.32
• TPSA: 56.59 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.44
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(8R)-8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone?

The IUPAC name of [(8R)-8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone (CID 124817858) is [(8R)-8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone.

What is the SMILES notation for [(8R)-8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone?

The canonical SMILES for [(8R)-8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone is Cc1cccc(CO[C@@H]2CCOC3(C2)CN(C(=O)c2cccn2C)C3)n1.

What is the InChIKey of [(8R)-8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone?

The InChIKey is MEWHXNWQYANNPA-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-15-5-3-6-16(21-15)12-25-17-8-10-26-20(11-17)13-23(14-20)19(24)18-7-4-9-22(18)2/h3-7,9,17H,8,10-14H2,1-2H3/t17-/m1/s1.

What are the key properties of [(8R)-8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone?

[(8R)-8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone has a molecular weight of 355.44 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(8R)-8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 124817858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).