2-[5-(1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-6-yl)-6-(3-fluoro-5-methylphenyl)-1,8-naphthyridin-3-yl]-3-aminopyridine-4-carbonitrile

C28H26FN7O — CID 134255296

About 2-[5-(1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-6-yl)-6-(3-fluoro-5-methylphenyl)-1,8-naphthyridin-3-yl]-3-aminopyridine-4-carbonitrile

2-[5-(1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-6-yl)-6-(3-fluoro-5-methylphenyl)-1,8-naphthyridin-3-yl]-3-aminopyridine-4-carbonitrile (PubChem CID 134255296) has the molecular formula C28H26FN7O and a molecular weight of 495.56 g/mol. Its IUPAC name is 2-[5-(1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-6-yl)-6-(3-fluoro-5-methylphenyl)-1,8-naphthyridin-3-yl]-3-aminopyridine-4-carbonitrile.

Molecular Properties

• Compound Name: 2-[5-(1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-6-yl)-6-(3-fluoro-5-methylphenyl)-1,8-naphthyridin-3-yl]-3-aminopyridine-4-carbonitrile
• PubChem CID: 134255296
• Molecular Formula: C28H26FN7O
• Molecular Weight: 495.56 g/mol
• Exact Mass: 495.22
• IUPAC Name: 2-[5-(1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-6-yl)-6-(3-fluoro-5-methylphenyl)-1,8-naphthyridin-3-yl]-3-aminopyridine-4-carbonitrile
• SMILES: Cc1cc(F)cc(-c2cnc3ncc(-c4nccc(C#N)c4N)cc3c2N2CCC3NCCOC3C2)c1
• InChI: InChI=1S/C28H26FN7O/c1-16-8-18(10-20(29)9-16)22-14-35-28-21(27(22)36-6-3-23-24(15-36)37-7-5-32-23)11-19(13-34-28)26-25(31)17(12-30)2-4-33-26/h2,4,8-11,13-14,23-24,32H,3,5-7,15,31H2,1H3
• InChIKey: SDMUWOPDWHTKHB-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 112.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.56
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-6-yl)-6-(3-fluoro-5-methylphenyl)-1,8-naphthyridin-3-yl]-3-aminopyridine-4-carbonitrile?

The IUPAC name of 2-[5-(1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-6-yl)-6-(3-fluoro-5-methylphenyl)-1,8-naphthyridin-3-yl]-3-aminopyridine-4-carbonitrile (CID 134255296) is 2-[5-(1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-6-yl)-6-(3-fluoro-5-methylphenyl)-1,8-naphthyridin-3-yl]-3-aminopyridine-4-carbonitrile.

What is the SMILES notation for 2-[5-(1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-6-yl)-6-(3-fluoro-5-methylphenyl)-1,8-naphthyridin-3-yl]-3-aminopyridine-4-carbonitrile?

The canonical SMILES for 2-[5-(1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-6-yl)-6-(3-fluoro-5-methylphenyl)-1,8-naphthyridin-3-yl]-3-aminopyridine-4-carbonitrile is Cc1cc(F)cc(-c2cnc3ncc(-c4nccc(C#N)c4N)cc3c2N2CCC3NCCOC3C2)c1.

What is the InChIKey of 2-[5-(1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-6-yl)-6-(3-fluoro-5-methylphenyl)-1,8-naphthyridin-3-yl]-3-aminopyridine-4-carbonitrile?

The InChIKey is SDMUWOPDWHTKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN7O/c1-16-8-18(10-20(29)9-16)22-14-35-28-21(27(22)36-6-3-23-24(15-36)37-7-5-32-23)11-19(13-34-28)26-25(31)17(12-30)2-4-33-26/h2,4,8-11,13-14,23-24,32H,3,5-7,15,31H2,1H3.

What are the key properties of 2-[5-(1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-6-yl)-6-(3-fluoro-5-methylphenyl)-1,8-naphthyridin-3-yl]-3-aminopyridine-4-carbonitrile?

2-[5-(1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-6-yl)-6-(3-fluoro-5-methylphenyl)-1,8-naphthyridin-3-yl]-3-aminopyridine-4-carbonitrile has a molecular weight of 495.56 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-6-yl)-6-(3-fluoro-5-methylphenyl)-1,8-naphthyridin-3-yl]-3-aminopyridine-4-carbonitrile is sourced from PubChem (CID 134255296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).