4-bromo-6-(1,1-dioxothiazinan-2-yl)-3-hydroxy-N-[2-oxo-2-(3-phenylanilino)ethyl]pyridine-2-carboxamide

C24H23BrN4O5S — CID 11180474

About 4-bromo-6-(1,1-dioxothiazinan-2-yl)-3-hydroxy-N-[2-oxo-2-(3-phenylanilino)ethyl]pyridine-2-carboxamide

4-bromo-6-(1,1-dioxothiazinan-2-yl)-3-hydroxy-N-[2-oxo-2-(3-phenylanilino)ethyl]pyridine-2-carboxamide (PubChem CID 11180474) has the molecular formula C24H23BrN4O5S and a molecular weight of 559.44 g/mol. Its IUPAC name is 4-bromo-6-(1,1-dioxothiazinan-2-yl)-3-hydroxy-N-[2-oxo-2-(3-phenylanilino)ethyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-bromo-6-(1,1-dioxothiazinan-2-yl)-3-hydroxy-N-[2-oxo-2-(3-phenylanilino)ethyl]pyridine-2-carboxamide
• PubChem CID: 11180474
• Molecular Formula: C24H23BrN4O5S
• Molecular Weight: 559.44 g/mol
• Exact Mass: 558.06
• IUPAC Name: 4-bromo-6-(1,1-dioxothiazinan-2-yl)-3-hydroxy-N-[2-oxo-2-(3-phenylanilino)ethyl]pyridine-2-carboxamide
• SMILES: O=C(CNC(=O)c1nc(N2CCCCS2(=O)=O)cc(Br)c1O)Nc1cccc(-c2ccccc2)c1
• InChI: InChI=1S/C24H23BrN4O5S/c25-19-14-20(29-11-4-5-12-35(29,33)34)28-22(23(19)31)24(32)26-15-21(30)27-18-10-6-9-17(13-18)16-7-2-1-3-8-16/h1-3,6-10,13-14,31H,4-5,11-12,15H2,(H,26,32)(H,27,30)
• InChIKey: WYVXVDCBZDYDKL-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 128.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	559.44
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(1,1-dioxothiazinan-2-yl)-3-hydroxy-N-[2-oxo-2-(3-phenylanilino)ethyl]pyridine-2-carboxamide?

The IUPAC name of 4-bromo-6-(1,1-dioxothiazinan-2-yl)-3-hydroxy-N-[2-oxo-2-(3-phenylanilino)ethyl]pyridine-2-carboxamide (CID 11180474) is 4-bromo-6-(1,1-dioxothiazinan-2-yl)-3-hydroxy-N-[2-oxo-2-(3-phenylanilino)ethyl]pyridine-2-carboxamide.

What is the SMILES notation for 4-bromo-6-(1,1-dioxothiazinan-2-yl)-3-hydroxy-N-[2-oxo-2-(3-phenylanilino)ethyl]pyridine-2-carboxamide?

The canonical SMILES for 4-bromo-6-(1,1-dioxothiazinan-2-yl)-3-hydroxy-N-[2-oxo-2-(3-phenylanilino)ethyl]pyridine-2-carboxamide is O=C(CNC(=O)c1nc(N2CCCCS2(=O)=O)cc(Br)c1O)Nc1cccc(-c2ccccc2)c1.

What is the InChIKey of 4-bromo-6-(1,1-dioxothiazinan-2-yl)-3-hydroxy-N-[2-oxo-2-(3-phenylanilino)ethyl]pyridine-2-carboxamide?

The InChIKey is WYVXVDCBZDYDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN4O5S/c25-19-14-20(29-11-4-5-12-35(29,33)34)28-22(23(19)31)24(32)26-15-21(30)27-18-10-6-9-17(13-18)16-7-2-1-3-8-16/h1-3,6-10,13-14,31H,4-5,11-12,15H2,(H,26,32)(H,27,30).

What are the key properties of 4-bromo-6-(1,1-dioxothiazinan-2-yl)-3-hydroxy-N-[2-oxo-2-(3-phenylanilino)ethyl]pyridine-2-carboxamide?

4-bromo-6-(1,1-dioxothiazinan-2-yl)-3-hydroxy-N-[2-oxo-2-(3-phenylanilino)ethyl]pyridine-2-carboxamide has a molecular weight of 559.44 g/mol, XLogP of 3.52, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-6-(1,1-dioxothiazinan-2-yl)-3-hydroxy-N-[2-oxo-2-(3-phenylanilino)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 11180474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).