6-[5-[2-[[3-(2-aminopropoxy)-1-chloro-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

C24H29ClN6O5 — CID 166759704

About 6-[5-[2-[[3-(2-aminopropoxy)-1-chloro-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-[[3-(2-aminopropoxy)-1-chloro-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 166759704) has the molecular formula C24H29ClN6O5 and a molecular weight of 516.99 g/mol. Its IUPAC name is 6-[5-[2-[[3-(2-aminopropoxy)-1-chloro-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-[[3-(2-aminopropoxy)-1-chloro-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: 166759704
• Molecular Formula: C24H29ClN6O5
• Molecular Weight: 516.99 g/mol
• Exact Mass: 516.19
• IUPAC Name: 6-[5-[2-[[3-(2-aminopropoxy)-1-chloro-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: CC(N)COc1cc2c(c(Cl)n1)CC(N(C)CCC1CN(c3ccc4c(n3)NC(=O)CO4)C(=O)O1)C2
• InChI: InChI=1S/C24H29ClN6O5/c1-13(26)11-35-21-8-14-7-15(9-17(14)22(25)29-21)30(2)6-5-16-10-31(24(33)36-16)19-4-3-18-23(27-19)28-20(32)12-34-18/h3-4,8,13,15-16H,5-7,9-12,26H2,1-2H3,(H,27,28,32)
• InChIKey: XNUDCWZCCPRFNY-UHFFFAOYSA-N
• XLogP: 2.00
• TPSA: 132.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.99
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[5-[2-[[3-(2-aminopropoxy)-1-chloro-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-[[3-(2-aminopropoxy)-1-chloro-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 166759704) is 6-[5-[2-[[3-(2-aminopropoxy)-1-chloro-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-[[3-(2-aminopropoxy)-1-chloro-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-[[3-(2-aminopropoxy)-1-chloro-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 CC(N)COc1cc2c(c(Cl)n1)CC(N(C)CCC1CN(c3ccc4c(n3)NC(=O)CO4)C(=O)O1)C2.

What is the InChIKey of 6-[5-[2-[[3-(2-aminopropoxy)-1-chloro-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 XNUDCWZCCPRFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN6O5/c1-13(26)11-35-21-8-14-7-15(9-17(14)22(25)29-21)30(2)6-5-16-10-31(24(33)36-16)19-4-3-18-23(27-19)28-20(32)12-34-18/h3-4,8,13,15-16H,5-7,9-12,26H2,1-2H3,(H,27,28,32).

What are the key properties of 6-[5-[2-[[3-(2-aminopropoxy)-1-chloro-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-[[3-(2-aminopropoxy)-1-chloro-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 516.99 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-[2-[[3-(2-aminopropoxy)-1-chloro-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 166759704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).