4-oxo-4-[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]butanamide

C19H26N4O3 — CID 95874562

About 4-oxo-4-[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]butanamide

4-oxo-4-[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]butanamide (PubChem CID 95874562) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-oxo-4-[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]butanamide.

Molecular Properties

• Compound Name: 4-oxo-4-[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]butanamide
• PubChem CID: 95874562
• Molecular Formula: C19H26N4O3
• Molecular Weight: 358.44 g/mol
• Exact Mass: 358.20
• IUPAC Name: 4-oxo-4-[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]butanamide
• SMILES: NC(=O)CCC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccccn3)C2)C1
• InChI: InChI=1S/C19H26N4O3/c20-16(24)5-6-17(25)22-11-3-8-19(13-22)9-7-18(26)23(14-19)12-15-4-1-2-10-21-15/h1-2,4,10H,3,5-9,11-14H2,(H2,20,24)/t19-/m1/s1
• InChIKey: JNGPCOPYLZVOJU-LJQANCHMSA-N
• XLogP: 1.08
• TPSA: 96.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.44
LogP ≤ 5	1.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]butanamide?

The IUPAC name of 4-oxo-4-[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]butanamide (CID 95874562) is 4-oxo-4-[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]butanamide.

What is the SMILES notation for 4-oxo-4-[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]butanamide?

The canonical SMILES for 4-oxo-4-[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]butanamide is NC(=O)CCC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccccn3)C2)C1.

What is the InChIKey of 4-oxo-4-[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]butanamide?

The InChIKey is JNGPCOPYLZVOJU-LJQANCHMSA-N. The full InChI is InChI=1S/C19H26N4O3/c20-16(24)5-6-17(25)22-11-3-8-19(13-22)9-7-18(26)23(14-19)12-15-4-1-2-10-21-15/h1-2,4,10H,3,5-9,11-14H2,(H2,20,24)/t19-/m1/s1.

What are the key properties of 4-oxo-4-[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]butanamide?

4-oxo-4-[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]butanamide has a molecular weight of 358.44 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-oxo-4-[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]butanamide is sourced from PubChem (CID 95874562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).