8-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C20H29N3O4 — CID 56909283

About 8-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

8-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 56909283) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 8-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

• Compound Name: 8-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
• PubChem CID: 56909283
• Molecular Formula: C20H29N3O4
• Molecular Weight: 375.47 g/mol
• Exact Mass: 375.22
• IUPAC Name: 8-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
• SMILES: CCn1c(C)cc(C)c(C(=O)N2CCC3(CC2)CC(C(=O)O)N(C)C3)c1=O
• InChI: InChI=1S/C20H29N3O4/c1-5-23-14(3)10-13(2)16(18(23)25)17(24)22-8-6-20(7-9-22)11-15(19(26)27)21(4)12-20/h10,15H,5-9,11-12H2,1-4H3,(H,26,27)
• InChIKey: XOWSWZXMKQDACU-UHFFFAOYSA-N
• XLogP: 1.50
• TPSA: 82.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.47
LogP ≤ 5	1.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The IUPAC name of 8-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 56909283) is 8-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

What is the SMILES notation for 8-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The canonical SMILES for 8-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CCn1c(C)cc(C)c(C(=O)N2CCC3(CC2)CC(C(=O)O)N(C)C3)c1=O.

What is the InChIKey of 8-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The InChIKey is XOWSWZXMKQDACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-5-23-14(3)10-13(2)16(18(23)25)17(24)22-8-6-20(7-9-22)11-15(19(26)27)21(4)12-20/h10,15H,5-9,11-12H2,1-4H3,(H,26,27).

What are the key properties of 8-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

8-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 375.47 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 56909283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).