5-[5-[(3-ethyl-2-oxo-1H-1,6-naphthyridin-7-yl)methyl]-2-hydroxy-5,8-diazaspiro[3.5]nonan-8-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide

C27H32N6O4 — CID 170263566

About 5-[5-[(3-ethyl-2-oxo-1H-1,6-naphthyridin-7-yl)methyl]-2-hydroxy-5,8-diazaspiro[3.5]nonan-8-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide

5-[5-[(3-ethyl-2-oxo-1H-1,6-naphthyridin-7-yl)methyl]-2-hydroxy-5,8-diazaspiro[3.5]nonan-8-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide (PubChem CID 170263566) has the molecular formula C27H32N6O4 and a molecular weight of 504.59 g/mol. Its IUPAC name is 5-[5-[(3-ethyl-2-oxo-1H-1,6-naphthyridin-7-yl)methyl]-2-hydroxy-5,8-diazaspiro[3.5]nonan-8-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[5-[(3-ethyl-2-oxo-1H-1,6-naphthyridin-7-yl)methyl]-2-hydroxy-5,8-diazaspiro[3.5]nonan-8-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide
• PubChem CID: 170263566
• Molecular Formula: C27H32N6O4
• Molecular Weight: 504.59 g/mol
• Exact Mass: 504.25
• IUPAC Name: 5-[5-[(3-ethyl-2-oxo-1H-1,6-naphthyridin-7-yl)methyl]-2-hydroxy-5,8-diazaspiro[3.5]nonan-8-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide
• SMILES: CCc1cc2cnc(CN3CCN(c4ccc(C(=O)NC5COC5)nc4)CC34CC(O)C4)cc2[nH]c1=O
• InChI: InChI=1S/C27H32N6O4/c1-2-17-7-18-11-28-19(8-24(18)31-25(17)35)13-33-6-5-32(16-27(33)9-22(34)10-27)21-3-4-23(29-12-21)26(36)30-20-14-37-15-20/h3-4,7-8,11-12,20,22,34H,2,5-6,9-10,13-16H2,1H3,(H,30,36)(H,31,35)
• InChIKey: CXZWTIYRUWLHPN-UHFFFAOYSA-N
• XLogP: 1.22
• TPSA: 123.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.59
LogP ≤ 5	1.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(3-ethyl-2-oxo-1H-1,6-naphthyridin-7-yl)methyl]-2-hydroxy-5,8-diazaspiro[3.5]nonan-8-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide?

The IUPAC name of 5-[5-[(3-ethyl-2-oxo-1H-1,6-naphthyridin-7-yl)methyl]-2-hydroxy-5,8-diazaspiro[3.5]nonan-8-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide (CID 170263566) is 5-[5-[(3-ethyl-2-oxo-1H-1,6-naphthyridin-7-yl)methyl]-2-hydroxy-5,8-diazaspiro[3.5]nonan-8-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide.

What is the SMILES notation for 5-[5-[(3-ethyl-2-oxo-1H-1,6-naphthyridin-7-yl)methyl]-2-hydroxy-5,8-diazaspiro[3.5]nonan-8-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide?

The canonical SMILES for 5-[5-[(3-ethyl-2-oxo-1H-1,6-naphthyridin-7-yl)methyl]-2-hydroxy-5,8-diazaspiro[3.5]nonan-8-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide is CCc1cc2cnc(CN3CCN(c4ccc(C(=O)NC5COC5)nc4)CC34CC(O)C4)cc2[nH]c1=O.

What is the InChIKey of 5-[5-[(3-ethyl-2-oxo-1H-1,6-naphthyridin-7-yl)methyl]-2-hydroxy-5,8-diazaspiro[3.5]nonan-8-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide?

The InChIKey is CXZWTIYRUWLHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O4/c1-2-17-7-18-11-28-19(8-24(18)31-25(17)35)13-33-6-5-32(16-27(33)9-22(34)10-27)21-3-4-23(29-12-21)26(36)30-20-14-37-15-20/h3-4,7-8,11-12,20,22,34H,2,5-6,9-10,13-16H2,1H3,(H,30,36)(H,31,35).

What are the key properties of 5-[5-[(3-ethyl-2-oxo-1H-1,6-naphthyridin-7-yl)methyl]-2-hydroxy-5,8-diazaspiro[3.5]nonan-8-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide?

5-[5-[(3-ethyl-2-oxo-1H-1,6-naphthyridin-7-yl)methyl]-2-hydroxy-5,8-diazaspiro[3.5]nonan-8-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide has a molecular weight of 504.59 g/mol, XLogP of 1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[(3-ethyl-2-oxo-1H-1,6-naphthyridin-7-yl)methyl]-2-hydroxy-5,8-diazaspiro[3.5]nonan-8-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 170263566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).