tert-butyl N-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-[5-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]oxan-2-yl]ethyl]carbamate

C29H35FN6O6 — CID 67365947

About tert-butyl N-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-[5-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]oxan-2-yl]ethyl]carbamate

tert-butyl N-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-[5-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]oxan-2-yl]ethyl]carbamate (PubChem CID 67365947) has the molecular formula C29H35FN6O6 and a molecular weight of 582.63 g/mol. Its IUPAC name is tert-butyl N-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-[5-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]oxan-2-yl]ethyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-[5-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]oxan-2-yl]ethyl]carbamate
• PubChem CID: 67365947
• Molecular Formula: C29H35FN6O6
• Molecular Weight: 582.63 g/mol
• Exact Mass: 582.26
• IUPAC Name: tert-butyl N-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-[5-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]oxan-2-yl]ethyl]carbamate
• SMILES: COc1ccc2ncc(F)c(CC(NC(=O)OC(C)(C)C)C3CCC(NCc4ccc5c(n4)NC(=O)CO5)CO3)c2n1
• InChI: InChI=1S/C29H35FN6O6/c1-29(2,3)42-28(38)34-21(11-18-19(30)13-32-20-7-10-25(39-4)36-26(18)20)22-8-6-17(14-40-22)31-12-16-5-9-23-27(33-16)35-24(37)15-41-23/h5,7,9-10,13,17,21-22,31H,6,8,11-12,14-15H2,1-4H3,(H,34,38)(H,33,35,37)
• InChIKey: BDLPYFYRIUKRIM-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 145.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	582.63
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-[5-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]oxan-2-yl]ethyl]carbamate?

The IUPAC name of tert-butyl N-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-[5-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]oxan-2-yl]ethyl]carbamate (CID 67365947) is tert-butyl N-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-[5-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]oxan-2-yl]ethyl]carbamate.

What is the SMILES notation for tert-butyl N-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-[5-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]oxan-2-yl]ethyl]carbamate?

The canonical SMILES for tert-butyl N-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-[5-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]oxan-2-yl]ethyl]carbamate is COc1ccc2ncc(F)c(CC(NC(=O)OC(C)(C)C)C3CCC(NCc4ccc5c(n4)NC(=O)CO5)CO3)c2n1.

What is the InChIKey of tert-butyl N-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-[5-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]oxan-2-yl]ethyl]carbamate?

The InChIKey is BDLPYFYRIUKRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35FN6O6/c1-29(2,3)42-28(38)34-21(11-18-19(30)13-32-20-7-10-25(39-4)36-26(18)20)22-8-6-17(14-40-22)31-12-16-5-9-23-27(33-16)35-24(37)15-41-23/h5,7,9-10,13,17,21-22,31H,6,8,11-12,14-15H2,1-4H3,(H,34,38)(H,33,35,37).

What are the key properties of tert-butyl N-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-[5-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]oxan-2-yl]ethyl]carbamate?

tert-butyl N-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-[5-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]oxan-2-yl]ethyl]carbamate has a molecular weight of 582.63 g/mol, XLogP of 3.28, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-[5-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]oxan-2-yl]ethyl]carbamate is sourced from PubChem (CID 67365947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).