(6-methyl-2-pyridinyl)-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone

C18H19N3O2S — CID 124814780

About (6-methyl-2-pyridinyl)-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone

(6-methyl-2-pyridinyl)-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone (PubChem CID 124814780) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is (6-methyl-2-pyridinyl)-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone.

Molecular Properties

• Compound Name: (6-methyl-2-pyridinyl)-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
• PubChem CID: 124814780
• Molecular Formula: C18H19N3O2S
• Molecular Weight: 341.44 g/mol
• Exact Mass: 341.12
• IUPAC Name: (6-methyl-2-pyridinyl)-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
• SMILES: Cc1cccc(C(=O)N2CC3(C[C@@H](Oc4cccnc4)CS3)C2)n1
• InChI: InChI=1S/C18H19N3O2S/c1-13-4-2-6-16(20-13)17(22)21-11-18(12-21)8-15(10-24-18)23-14-5-3-7-19-9-14/h2-7,9,15H,8,10-12H2,1H3/t15-/m1/s1
• InChIKey: METXUCAZBPODPS-OAHLLOKOSA-N
• XLogP: 2.56
• TPSA: 55.32 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.44
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6-methyl-2-pyridinyl)-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone?

The IUPAC name of (6-methyl-2-pyridinyl)-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone (CID 124814780) is (6-methyl-2-pyridinyl)-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone.

What is the SMILES notation for (6-methyl-2-pyridinyl)-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone?

The canonical SMILES for (6-methyl-2-pyridinyl)-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone is Cc1cccc(C(=O)N2CC3(C[C@@H](Oc4cccnc4)CS3)C2)n1.

What is the InChIKey of (6-methyl-2-pyridinyl)-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone?

The InChIKey is METXUCAZBPODPS-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-13-4-2-6-16(20-13)17(22)21-11-18(12-21)8-15(10-24-18)23-14-5-3-7-19-9-14/h2-7,9,15H,8,10-12H2,1H3/t15-/m1/s1.

What are the key properties of (6-methyl-2-pyridinyl)-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone?

(6-methyl-2-pyridinyl)-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone has a molecular weight of 341.44 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6-methyl-2-pyridinyl)-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone is sourced from PubChem (CID 124814780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).