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

C25H30N6O3 — CID 171445034

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

5-[8-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonan-5-yl]-N,6-dimethylpyridine-2-carboxamide (PubChem CID 171445034) has the molecular formula C25H30N6O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is 5-[8-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonan-5-yl]-N,6-dimethylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[8-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonan-5-yl]-N,6-dimethylpyridine-2-carboxamide
• PubChem CID: 171445034
• Molecular Formula: C25H30N6O3
• Molecular Weight: 462.55 g/mol
• Exact Mass: 462.24
• IUPAC Name: 5-[8-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonan-5-yl]-N,6-dimethylpyridine-2-carboxamide
• SMILES: CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC)nc4C)C4(COC4)C3)cc2[nH]c1=O
• InChI: InChI=1S/C25H30N6O3/c1-4-18-10-20-21(29-23(18)32)9-17(11-27-20)12-30-7-8-31(25(13-30)14-34-15-25)22-6-5-19(24(33)26-3)28-16(22)2/h5-6,9-11H,4,7-8,12-15H2,1-3H3,(H,26,33)(H,29,32)
• InChIKey: WNFMLVLYXZFAJL-UHFFFAOYSA-N
• XLogP: 1.64
• TPSA: 103.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.55
LogP ≤ 5	1.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[8-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonan-5-yl]-N,6-dimethylpyridine-2-carboxamide (CID 171445034) is 5-[8-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonan-5-yl]-N,6-dimethylpyridine-2-carboxamide.

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

The canonical SMILES for 5-[8-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonan-5-yl]-N,6-dimethylpyridine-2-carboxamide is CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC)nc4C)C4(COC4)C3)cc2[nH]c1=O.

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

The InChIKey is WNFMLVLYXZFAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3/c1-4-18-10-20-21(29-23(18)32)9-17(11-27-20)12-30-7-8-31(25(13-30)14-34-15-25)22-6-5-19(24(33)26-3)28-16(22)2/h5-6,9-11H,4,7-8,12-15H2,1-3H3,(H,26,33)(H,29,32).

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

5-[8-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonan-5-yl]-N,6-dimethylpyridine-2-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[8-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonan-5-yl]-N,6-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 171445034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).