5-[[[[(3S,4S)-4-hydroxypyrrolidin-3-yl]-(6-methoxy-1,5-naphthyridin-4-yl)methyl]amino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one

C26H28N6O5S — CID 66954092

About 5-[[[[(3S,4S)-4-hydroxypyrrolidin-3-yl]-(6-methoxy-1,5-naphthyridin-4-yl)methyl]amino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one

5-[[[[(3S,4S)-4-hydroxypyrrolidin-3-yl]-(6-methoxy-1,5-naphthyridin-4-yl)methyl]amino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one (PubChem CID 66954092) has the molecular formula C26H28N6O5S and a molecular weight of 536.61 g/mol. Its IUPAC name is 5-[[[[(3S,4S)-4-hydroxypyrrolidin-3-yl]-(6-methoxy-1,5-naphthyridin-4-yl)methyl]amino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 5-[[[[(3S,4S)-4-hydroxypyrrolidin-3-yl]-(6-methoxy-1,5-naphthyridin-4-yl)methyl]amino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
• PubChem CID: 66954092
• Molecular Formula: C26H28N6O5S
• Molecular Weight: 536.61 g/mol
• Exact Mass: 536.18
• IUPAC Name: 5-[[[[(3S,4S)-4-hydroxypyrrolidin-3-yl]-(6-methoxy-1,5-naphthyridin-4-yl)methyl]amino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
• SMILES: COc1ccc2nccc(C(NCC3CN(c4ccc5c(c4)NC(=O)CS5)C(=O)O3)[C@@H]3CNC[C@H]3O)c2n1
• InChI: InChI=1S/C26H28N6O5S/c1-36-23-5-3-18-25(31-23)16(6-7-28-18)24(17-10-27-11-20(17)33)29-9-15-12-32(26(35)37-15)14-2-4-21-19(8-14)30-22(34)13-38-21/h2-8,15,17,20,24,27,29,33H,9-13H2,1H3,(H,30,34)/t15?,17-,20-,24?/m1/s1
• InChIKey: SUKXZRIERWQSKL-BTWKWJPDSA-N
• XLogP: 1.92
• TPSA: 137.94 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.61
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[[[[(3S,4S)-4-hydroxypyrrolidin-3-yl]-(6-methoxy-1,5-naphthyridin-4-yl)methyl]amino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?

The IUPAC name of 5-[[[[(3S,4S)-4-hydroxypyrrolidin-3-yl]-(6-methoxy-1,5-naphthyridin-4-yl)methyl]amino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one (CID 66954092) is 5-[[[[(3S,4S)-4-hydroxypyrrolidin-3-yl]-(6-methoxy-1,5-naphthyridin-4-yl)methyl]amino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one.

What is the SMILES notation for 5-[[[[(3S,4S)-4-hydroxypyrrolidin-3-yl]-(6-methoxy-1,5-naphthyridin-4-yl)methyl]amino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?

The canonical SMILES for 5-[[[[(3S,4S)-4-hydroxypyrrolidin-3-yl]-(6-methoxy-1,5-naphthyridin-4-yl)methyl]amino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one is COc1ccc2nccc(C(NCC3CN(c4ccc5c(c4)NC(=O)CS5)C(=O)O3)[C@@H]3CNC[C@H]3O)c2n1.

What is the InChIKey of 5-[[[[(3S,4S)-4-hydroxypyrrolidin-3-yl]-(6-methoxy-1,5-naphthyridin-4-yl)methyl]amino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?

The InChIKey is SUKXZRIERWQSKL-BTWKWJPDSA-N. The full InChI is InChI=1S/C26H28N6O5S/c1-36-23-5-3-18-25(31-23)16(6-7-28-18)24(17-10-27-11-20(17)33)29-9-15-12-32(26(35)37-15)14-2-4-21-19(8-14)30-22(34)13-38-21/h2-8,15,17,20,24,27,29,33H,9-13H2,1H3,(H,30,34)/t15?,17-,20-,24?/m1/s1.

What are the key properties of 5-[[[[(3S,4S)-4-hydroxypyrrolidin-3-yl]-(6-methoxy-1,5-naphthyridin-4-yl)methyl]amino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?

5-[[[[(3S,4S)-4-hydroxypyrrolidin-3-yl]-(6-methoxy-1,5-naphthyridin-4-yl)methyl]amino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one has a molecular weight of 536.61 g/mol, XLogP of 1.92, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[[[(3S,4S)-4-hydroxypyrrolidin-3-yl]-(6-methoxy-1,5-naphthyridin-4-yl)methyl]amino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 66954092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).