6-[5-[2-[[1,4-dimethyl-3-[(1-methyl-5-oxopyrrolidin-3-yl)methoxy]-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C29H36N6O6 — CID 156861959

About 6-[5-[2-[[1,4-dimethyl-3-[(1-methyl-5-oxopyrrolidin-3-yl)methoxy]-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[5-[2-[[1,4-dimethyl-3-[(1-methyl-5-oxopyrrolidin-3-yl)methoxy]-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 156861959) has the molecular formula C29H36N6O6 and a molecular weight of 564.64 g/mol. Its IUPAC name is 6-[5-[2-[[1,4-dimethyl-3-[(1-methyl-5-oxopyrrolidin-3-yl)methoxy]-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

• Compound Name: 6-[5-[2-[[1,4-dimethyl-3-[(1-methyl-5-oxopyrrolidin-3-yl)methoxy]-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
• PubChem CID: 156861959
• Molecular Formula: C29H36N6O6
• Molecular Weight: 564.64 g/mol
• Exact Mass: 564.27
• IUPAC Name: 6-[5-[2-[[1,4-dimethyl-3-[(1-methyl-5-oxopyrrolidin-3-yl)methoxy]-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
• SMILES: Cc1nc(OCC2CC(=O)N(C)C2)c(C)c2c1CC(CNCCC1CN(c3ccc4c(n3)NC(=O)CO4)C(=O)O1)C2
• InChI: InChI=1S/C29H36N6O6/c1-16-21-8-18(9-22(21)17(2)31-28(16)40-14-19-10-26(37)34(3)12-19)11-30-7-6-20-13-35(29(38)41-20)24-5-4-23-27(32-24)33-25(36)15-39-23/h4-5,18-20,30H,6-15H2,1-3H3,(H,32,33,36)
• InChIKey: RVYJPGQMEPVPAD-UHFFFAOYSA-N
• XLogP: 2.00
• TPSA: 135.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.64
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	2
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 6-[5-[2-[[1,4-dimethyl-3-[(1-methyl-5-oxopyrrolidin-3-yl)methoxy]-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

The IUPAC name of 6-[5-[2-[[1,4-dimethyl-3-[(1-methyl-5-oxopyrrolidin-3-yl)methoxy]-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 156861959) is 6-[5-[2-[[1,4-dimethyl-3-[(1-methyl-5-oxopyrrolidin-3-yl)methoxy]-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

What is the SMILES notation for 6-[5-[2-[[1,4-dimethyl-3-[(1-methyl-5-oxopyrrolidin-3-yl)methoxy]-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

The canonical SMILES for 6-[5-[2-[[1,4-dimethyl-3-[(1-methyl-5-oxopyrrolidin-3-yl)methoxy]-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is Cc1nc(OCC2CC(=O)N(C)C2)c(C)c2c1CC(CNCCC1CN(c3ccc4c(n3)NC(=O)CO4)C(=O)O1)C2.

What is the InChIKey of 6-[5-[2-[[1,4-dimethyl-3-[(1-methyl-5-oxopyrrolidin-3-yl)methoxy]-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

The InChIKey is RVYJPGQMEPVPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N6O6/c1-16-21-8-18(9-22(21)17(2)31-28(16)40-14-19-10-26(37)34(3)12-19)11-30-7-6-20-13-35(29(38)41-20)24-5-4-23-27(32-24)33-25(36)15-39-23/h4-5,18-20,30H,6-15H2,1-3H3,(H,32,33,36).

What are the key properties of 6-[5-[2-[[1,4-dimethyl-3-[(1-methyl-5-oxopyrrolidin-3-yl)methoxy]-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

6-[5-[2-[[1,4-dimethyl-3-[(1-methyl-5-oxopyrrolidin-3-yl)methoxy]-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 564.64 g/mol, XLogP of 2.00, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-[2-[[1,4-dimethyl-3-[(1-methyl-5-oxopyrrolidin-3-yl)methoxy]-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 156861959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).