4-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-oxo-2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]piperidine-4-carboxamide;oxalic acid

C27H27N5O9S — CID 159257059

About 4-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-oxo-2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]piperidine-4-carboxamide;oxalic acid

4-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-oxo-2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]piperidine-4-carboxamide;oxalic acid (PubChem CID 159257059) has the molecular formula C27H27N5O9S and a molecular weight of 597.61 g/mol. Its IUPAC name is 4-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-oxo-2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]piperidine-4-carboxamide;oxalic acid.

Molecular Properties

• Compound Name: 4-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-oxo-2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]piperidine-4-carboxamide;oxalic acid
• PubChem CID: 159257059
• Molecular Formula: C27H27N5O9S
• Molecular Weight: 597.61 g/mol
• Exact Mass: 597.15
• IUPAC Name: 4-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-oxo-2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]piperidine-4-carboxamide;oxalic acid
• SMILES: COc1ccc2nccc(NC(=O)C3(O)CCN(CC(=O)c4ccc5c(c4)NC(=O)CS5)CC3)c2n1.O=C(O)C(=O)O
• InChI: InChI=1S/C25H25N5O5S.C2H2O4/c1-35-22-5-3-16-23(29-22)17(6-9-26-16)28-24(33)25(34)7-10-30(11-8-25)13-19(31)15-2-4-20-18(12-15)27-21(32)14-36-20;3-1(4)2(5)6/h2-6,9,12,34H,7-8,10-11,13-14H2,1H3,(H,27,32)(H,26,28,33);(H,3,4)(H,5,6)
• InChIKey: KWAMHCZQWPPOAF-UHFFFAOYSA-N
• XLogP: 1.49
• TPSA: 208.35 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	597.61
LogP ≤ 5	1.49
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-oxo-2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]piperidine-4-carboxamide;oxalic acid?

The IUPAC name of 4-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-oxo-2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]piperidine-4-carboxamide;oxalic acid (CID 159257059) is 4-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-oxo-2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]piperidine-4-carboxamide;oxalic acid.

What is the SMILES notation for 4-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-oxo-2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]piperidine-4-carboxamide;oxalic acid?

The canonical SMILES for 4-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-oxo-2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]piperidine-4-carboxamide;oxalic acid is COc1ccc2nccc(NC(=O)C3(O)CCN(CC(=O)c4ccc5c(c4)NC(=O)CS5)CC3)c2n1.O=C(O)C(=O)O.

What is the InChIKey of 4-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-oxo-2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]piperidine-4-carboxamide;oxalic acid?

The InChIKey is KWAMHCZQWPPOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O5S.C2H2O4/c1-35-22-5-3-16-23(29-22)17(6-9-26-16)28-24(33)25(34)7-10-30(11-8-25)13-19(31)15-2-4-20-18(12-15)27-21(32)14-36-20;3-1(4)2(5)6/h2-6,9,12,34H,7-8,10-11,13-14H2,1H3,(H,27,32)(H,26,28,33);(H,3,4)(H,5,6).

What are the key properties of 4-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-oxo-2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]piperidine-4-carboxamide;oxalic acid?

4-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-oxo-2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]piperidine-4-carboxamide;oxalic acid has a molecular weight of 597.61 g/mol, XLogP of 1.49, 6 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-oxo-2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]piperidine-4-carboxamide;oxalic acid is sourced from PubChem (CID 159257059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).