(5R)-5-[[(2-methoxy-7,8,9,10-tetrahydropyrido[2,3-c][1,5]naphthyridin-9-yl)methylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one

C25H26N6O4S — CID 44633948

About (5R)-5-[[(2-methoxy-7,8,9,10-tetrahydropyrido[2,3-c][1,5]naphthyridin-9-yl)methylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one

(5R)-5-[[(2-methoxy-7,8,9,10-tetrahydropyrido[2,3-c][1,5]naphthyridin-9-yl)methylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one (PubChem CID 44633948) has the molecular formula C25H26N6O4S and a molecular weight of 506.59 g/mol. Its IUPAC name is (5R)-5-[[(2-methoxy-7,8,9,10-tetrahydropyrido[2,3-c][1,5]naphthyridin-9-yl)methylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5R)-5-[[(2-methoxy-7,8,9,10-tetrahydropyrido[2,3-c][1,5]naphthyridin-9-yl)methylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
• PubChem CID: 44633948
• Molecular Formula: C25H26N6O4S
• Molecular Weight: 506.59 g/mol
• Exact Mass: 506.17
• IUPAC Name: (5R)-5-[[(2-methoxy-7,8,9,10-tetrahydropyrido[2,3-c][1,5]naphthyridin-9-yl)methylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
• SMILES: COc1ccc2ncc3c(c2n1)CC(CNC[C@@H]1CN(c2ccc4c(c2)NC(=O)CS4)C(=O)O1)CN3
• InChI: InChI=1S/C25H26N6O4S/c1-34-23-5-3-18-24(30-23)17-6-14(9-27-20(17)11-28-18)8-26-10-16-12-31(25(33)35-16)15-2-4-21-19(7-15)29-22(32)13-36-21/h2-5,7,11,14,16,26-27H,6,8-10,12-13H2,1H3,(H,29,32)/t14?,16-/m1/s1
• InChIKey: SFWJBLHCDGFJBR-BZSJEYESSA-N
• XLogP: 2.88
• TPSA: 117.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.59
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[(2-methoxy-7,8,9,10-tetrahydropyrido[2,3-c][1,5]naphthyridin-9-yl)methylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?

The IUPAC name of (5R)-5-[[(2-methoxy-7,8,9,10-tetrahydropyrido[2,3-c][1,5]naphthyridin-9-yl)methylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one (CID 44633948) is (5R)-5-[[(2-methoxy-7,8,9,10-tetrahydropyrido[2,3-c][1,5]naphthyridin-9-yl)methylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one.

What is the SMILES notation for (5R)-5-[[(2-methoxy-7,8,9,10-tetrahydropyrido[2,3-c][1,5]naphthyridin-9-yl)methylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?

The canonical SMILES for (5R)-5-[[(2-methoxy-7,8,9,10-tetrahydropyrido[2,3-c][1,5]naphthyridin-9-yl)methylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one is COc1ccc2ncc3c(c2n1)CC(CNC[C@@H]1CN(c2ccc4c(c2)NC(=O)CS4)C(=O)O1)CN3.

What is the InChIKey of (5R)-5-[[(2-methoxy-7,8,9,10-tetrahydropyrido[2,3-c][1,5]naphthyridin-9-yl)methylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?

The InChIKey is SFWJBLHCDGFJBR-BZSJEYESSA-N. The full InChI is InChI=1S/C25H26N6O4S/c1-34-23-5-3-18-24(30-23)17-6-14(9-27-20(17)11-28-18)8-26-10-16-12-31(25(33)35-16)15-2-4-21-19(7-15)29-22(32)13-36-21/h2-5,7,11,14,16,26-27H,6,8-10,12-13H2,1H3,(H,29,32)/t14?,16-/m1/s1.

What are the key properties of (5R)-5-[[(2-methoxy-7,8,9,10-tetrahydropyrido[2,3-c][1,5]naphthyridin-9-yl)methylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?

(5R)-5-[[(2-methoxy-7,8,9,10-tetrahydropyrido[2,3-c][1,5]naphthyridin-9-yl)methylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one has a molecular weight of 506.59 g/mol, XLogP of 2.88, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[[(2-methoxy-7,8,9,10-tetrahydropyrido[2,3-c][1,5]naphthyridin-9-yl)methylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 44633948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).