(6R)-8-(5-methyl-2-pyridinyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

C21H26N4O — CID 95870080

About (6R)-8-(5-methyl-2-pyridinyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

(6R)-8-(5-methyl-2-pyridinyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 95870080) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is (6R)-8-(5-methyl-2-pyridinyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: (6R)-8-(5-methyl-2-pyridinyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
• PubChem CID: 95870080
• Molecular Formula: C21H26N4O
• Molecular Weight: 350.47 g/mol
• Exact Mass: 350.21
• IUPAC Name: (6R)-8-(5-methyl-2-pyridinyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
• SMILES: Cc1ccc(N2CCC[C@@]3(CCC(=O)N(Cc4cccnc4)C3)C2)nc1
• InChI: InChI=1S/C21H26N4O/c1-17-5-6-19(23-12-17)24-11-3-8-21(15-24)9-7-20(26)25(16-21)14-18-4-2-10-22-13-18/h2,4-6,10,12-13H,3,7-9,11,14-16H2,1H3/t21-/m1/s1
• InChIKey: AKHUDINGFYFOGL-OAQYLSRUSA-N
• XLogP: 3.19
• TPSA: 49.33 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.47
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (6R)-8-(5-methyl-2-pyridinyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?

The IUPAC name of (6R)-8-(5-methyl-2-pyridinyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 95870080) is (6R)-8-(5-methyl-2-pyridinyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for (6R)-8-(5-methyl-2-pyridinyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for (6R)-8-(5-methyl-2-pyridinyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one is Cc1ccc(N2CCC[C@@]3(CCC(=O)N(Cc4cccnc4)C3)C2)nc1.

What is the InChIKey of (6R)-8-(5-methyl-2-pyridinyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?

The InChIKey is AKHUDINGFYFOGL-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H26N4O/c1-17-5-6-19(23-12-17)24-11-3-8-21(15-24)9-7-20(26)25(16-21)14-18-4-2-10-22-13-18/h2,4-6,10,12-13H,3,7-9,11,14-16H2,1H3/t21-/m1/s1.

What are the key properties of (6R)-8-(5-methyl-2-pyridinyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?

(6R)-8-(5-methyl-2-pyridinyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 350.47 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-8-(5-methyl-2-pyridinyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 95870080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).