2-(4-hydroxy-6-oxo-1H-pyridine-3-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one

C23H27N3O4 — CID 119068651

About 2-(4-hydroxy-6-oxo-1H-pyridine-3-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one

2-(4-hydroxy-6-oxo-1H-pyridine-3-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 119068651) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-(4-hydroxy-6-oxo-1H-pyridine-3-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

• Compound Name: 2-(4-hydroxy-6-oxo-1H-pyridine-3-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one
• PubChem CID: 119068651
• Molecular Formula: C23H27N3O4
• Molecular Weight: 409.49 g/mol
• Exact Mass: 409.20
• IUPAC Name: 2-(4-hydroxy-6-oxo-1H-pyridine-3-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one
• SMILES: O=C(c1c[nH]c(=O)cc1O)N1CCC2(CCCN(CCCc3ccccc3)C2=O)C1
• InChI: InChI=1S/C23H27N3O4/c27-19-14-20(28)24-15-18(19)21(29)26-13-10-23(16-26)9-5-12-25(22(23)30)11-4-8-17-6-2-1-3-7-17/h1-3,6-7,14-15H,4-5,8-13,16H2,(H2,24,27,28)
• InChIKey: ZVNMEMIVCNXMSG-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 93.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.49
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-6-oxo-1H-pyridine-3-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one?

The IUPAC name of 2-(4-hydroxy-6-oxo-1H-pyridine-3-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one (CID 119068651) is 2-(4-hydroxy-6-oxo-1H-pyridine-3-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one.

What is the SMILES notation for 2-(4-hydroxy-6-oxo-1H-pyridine-3-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one?

The canonical SMILES for 2-(4-hydroxy-6-oxo-1H-pyridine-3-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one is O=C(c1c[nH]c(=O)cc1O)N1CCC2(CCCN(CCCc3ccccc3)C2=O)C1.

What is the InChIKey of 2-(4-hydroxy-6-oxo-1H-pyridine-3-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one?

The InChIKey is ZVNMEMIVCNXMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c27-19-14-20(28)24-15-18(19)21(29)26-13-10-23(16-26)9-5-12-25(22(23)30)11-4-8-17-6-2-1-3-7-17/h1-3,6-7,14-15H,4-5,8-13,16H2,(H2,24,27,28).

What are the key properties of 2-(4-hydroxy-6-oxo-1H-pyridine-3-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one?

2-(4-hydroxy-6-oxo-1H-pyridine-3-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 409.49 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-hydroxy-6-oxo-1H-pyridine-3-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 119068651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).