tert-butyl N-[[5-[2-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methylamino]ethyl]-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]methyl]carbamate

C28H35FN6O6 — CID 156862685

About tert-butyl N-[[5-[2-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methylamino]ethyl]-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]methyl]carbamate

tert-butyl N-[[5-[2-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methylamino]ethyl]-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]methyl]carbamate (PubChem CID 156862685) has the molecular formula C28H35FN6O6 and a molecular weight of 570.62 g/mol. Its IUPAC name is tert-butyl N-[[5-[2-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methylamino]ethyl]-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]methyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[[5-[2-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methylamino]ethyl]-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]methyl]carbamate
• PubChem CID: 156862685
• Molecular Formula: C28H35FN6O6
• Molecular Weight: 570.62 g/mol
• Exact Mass: 570.26
• IUPAC Name: tert-butyl N-[[5-[2-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methylamino]ethyl]-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]methyl]carbamate
• SMILES: Cc1ncc(F)c2c1CC(CNCCC1(CNC(=O)OC(C)(C)C)CN(c3ccc4c(n3)NC(=O)CO4)C(=O)O1)C2
• InChI: InChI=1S/C28H35FN6O6/c1-16-18-9-17(10-19(18)20(29)12-31-16)11-30-8-7-28(14-32-25(37)40-27(2,3)4)15-35(26(38)41-28)22-6-5-21-24(33-22)34-23(36)13-39-21/h5-6,12,17,30H,7-11,13-15H2,1-4H3,(H,32,37)(H,33,34,36)
• InChIKey: JGOVRGYLDWUBHP-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 144.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.62
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-[2-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methylamino]ethyl]-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]methyl]carbamate?

The IUPAC name of tert-butyl N-[[5-[2-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methylamino]ethyl]-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]methyl]carbamate (CID 156862685) is tert-butyl N-[[5-[2-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methylamino]ethyl]-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]methyl]carbamate.

What is the SMILES notation for tert-butyl N-[[5-[2-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methylamino]ethyl]-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]methyl]carbamate?

The canonical SMILES for tert-butyl N-[[5-[2-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methylamino]ethyl]-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]methyl]carbamate is Cc1ncc(F)c2c1CC(CNCCC1(CNC(=O)OC(C)(C)C)CN(c3ccc4c(n3)NC(=O)CO4)C(=O)O1)C2.

What is the InChIKey of tert-butyl N-[[5-[2-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methylamino]ethyl]-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]methyl]carbamate?

The InChIKey is JGOVRGYLDWUBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35FN6O6/c1-16-18-9-17(10-19(18)20(29)12-31-16)11-30-8-7-28(14-32-25(37)40-27(2,3)4)15-35(26(38)41-28)22-6-5-21-24(33-22)34-23(36)13-39-21/h5-6,12,17,30H,7-11,13-15H2,1-4H3,(H,32,37)(H,33,34,36).

What are the key properties of tert-butyl N-[[5-[2-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methylamino]ethyl]-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]methyl]carbamate?

tert-butyl N-[[5-[2-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methylamino]ethyl]-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]methyl]carbamate has a molecular weight of 570.62 g/mol, XLogP of 2.87, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[[5-[2-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methylamino]ethyl]-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]methyl]carbamate is sourced from PubChem (CID 156862685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).