1-(2-ethyl-6-oxo-1H-pyridine-3-carbonyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one

C23H27N3O3 — CID 163313979

About 1-(2-ethyl-6-oxo-1H-pyridine-3-carbonyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one

1-(2-ethyl-6-oxo-1H-pyridine-3-carbonyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 163313979) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-(2-ethyl-6-oxo-1H-pyridine-3-carbonyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

• Compound Name: 1-(2-ethyl-6-oxo-1H-pyridine-3-carbonyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
• PubChem CID: 163313979
• Molecular Formula: C23H27N3O3
• Molecular Weight: 393.49 g/mol
• Exact Mass: 393.21
• IUPAC Name: 1-(2-ethyl-6-oxo-1H-pyridine-3-carbonyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
• SMILES: CCc1[nH]c(=O)ccc1C(=O)N1CCCC12CCCN(c1ccc(C)cc1)C2=O
• InChI: InChI=1S/C23H27N3O3/c1-3-19-18(10-11-20(27)24-19)21(28)26-15-5-13-23(26)12-4-14-25(22(23)29)17-8-6-16(2)7-9-17/h6-11H,3-5,12-15H2,1-2H3,(H,24,27)
• InChIKey: IZJFYVDGDGNUJI-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 73.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.49
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-6-oxo-1H-pyridine-3-carbonyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one?

The IUPAC name of 1-(2-ethyl-6-oxo-1H-pyridine-3-carbonyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one (CID 163313979) is 1-(2-ethyl-6-oxo-1H-pyridine-3-carbonyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one.

What is the SMILES notation for 1-(2-ethyl-6-oxo-1H-pyridine-3-carbonyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one?

The canonical SMILES for 1-(2-ethyl-6-oxo-1H-pyridine-3-carbonyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one is CCc1[nH]c(=O)ccc1C(=O)N1CCCC12CCCN(c1ccc(C)cc1)C2=O.

What is the InChIKey of 1-(2-ethyl-6-oxo-1H-pyridine-3-carbonyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one?

The InChIKey is IZJFYVDGDGNUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-3-19-18(10-11-20(27)24-19)21(28)26-15-5-13-23(26)12-4-14-25(22(23)29)17-8-6-16(2)7-9-17/h6-11H,3-5,12-15H2,1-2H3,(H,24,27).

What are the key properties of 1-(2-ethyl-6-oxo-1H-pyridine-3-carbonyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one?

1-(2-ethyl-6-oxo-1H-pyridine-3-carbonyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 393.49 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-ethyl-6-oxo-1H-pyridine-3-carbonyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 163313979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).