5-[[[(R)-(6-methoxy-1,5-naphthyridin-4-yl)-pyrrolidin-3-ylmethyl]-methylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one

C27H30N6O4S — CID 66954792

About 5-[[[(R)-(6-methoxy-1,5-naphthyridin-4-yl)-pyrrolidin-3-ylmethyl]-methylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one

5-[[[(R)-(6-methoxy-1,5-naphthyridin-4-yl)-pyrrolidin-3-ylmethyl]-methylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one (PubChem CID 66954792) has the molecular formula C27H30N6O4S and a molecular weight of 534.64 g/mol. Its IUPAC name is 5-[[[(R)-(6-methoxy-1,5-naphthyridin-4-yl)-pyrrolidin-3-ylmethyl]-methylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 5-[[[(R)-(6-methoxy-1,5-naphthyridin-4-yl)-pyrrolidin-3-ylmethyl]-methylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
• PubChem CID: 66954792
• Molecular Formula: C27H30N6O4S
• Molecular Weight: 534.64 g/mol
• Exact Mass: 534.20
• IUPAC Name: 5-[[[(R)-(6-methoxy-1,5-naphthyridin-4-yl)-pyrrolidin-3-ylmethyl]-methylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
• SMILES: COc1ccc2nccc([C@@H](C3CCNC3)N(C)CC3CN(c4ccc5c(c4)NC(=O)CS5)C(=O)O3)c2n1
• InChI: InChI=1S/C27H30N6O4S/c1-32(13-18-14-33(27(35)37-18)17-3-5-22-21(11-17)30-23(34)15-38-22)26(16-7-9-28-12-16)19-8-10-29-20-4-6-24(36-2)31-25(19)20/h3-6,8,10-11,16,18,26,28H,7,9,12-15H2,1-2H3,(H,30,34)/t16?,18?,26-/m1/s1
• InChIKey: YIFWMHPFUDPWFK-BGHVBIJQSA-N
• XLogP: 3.29
• TPSA: 108.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.64
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 5-[[[(R)-(6-methoxy-1,5-naphthyridin-4-yl)-pyrrolidin-3-ylmethyl]-methylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one (CID 66954792) is 5-[[[(R)-(6-methoxy-1,5-naphthyridin-4-yl)-pyrrolidin-3-ylmethyl]-methylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one.

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

The canonical SMILES for 5-[[[(R)-(6-methoxy-1,5-naphthyridin-4-yl)-pyrrolidin-3-ylmethyl]-methylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one is COc1ccc2nccc([C@@H](C3CCNC3)N(C)CC3CN(c4ccc5c(c4)NC(=O)CS5)C(=O)O3)c2n1.

What is the InChIKey of 5-[[[(R)-(6-methoxy-1,5-naphthyridin-4-yl)-pyrrolidin-3-ylmethyl]-methylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?

The InChIKey is YIFWMHPFUDPWFK-BGHVBIJQSA-N. The full InChI is InChI=1S/C27H30N6O4S/c1-32(13-18-14-33(27(35)37-18)17-3-5-22-21(11-17)30-23(34)15-38-22)26(16-7-9-28-12-16)19-8-10-29-20-4-6-24(36-2)31-25(19)20/h3-6,8,10-11,16,18,26,28H,7,9,12-15H2,1-2H3,(H,30,34)/t16?,18?,26-/m1/s1.

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

5-[[[(R)-(6-methoxy-1,5-naphthyridin-4-yl)-pyrrolidin-3-ylmethyl]-methylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one has a molecular weight of 534.64 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[[(R)-(6-methoxy-1,5-naphthyridin-4-yl)-pyrrolidin-3-ylmethyl]-methylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 66954792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).