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

C27H27N5O8S — CID 131726283

About 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

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 131726283) has the molecular formula C27H27N5O8S and a molecular weight of 581.61 g/mol. Its IUPAC name is 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: 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: 131726283
• Molecular Formula: C27H27N5O8S
• Molecular Weight: 581.61 g/mol
• Exact Mass: 581.16
• IUPAC Name: 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)C3CCN(CC(=O)c4ccc5c(c4)NC(=O)CS5)CC3)c2n1.O=C(O)C(=O)O
• InChI: InChI=1S/C25H25N5O4S.C2H2O4/c1-34-23-5-3-17-24(29-23)18(6-9-26-17)28-25(33)15-7-10-30(11-8-15)13-20(31)16-2-4-21-19(12-16)27-22(32)14-35-21;3-1(4)2(5)6/h2-6,9,12,15H,7-8,10-11,13-14H2,1H3,(H,27,32)(H,26,28,33);(H,3,4)(H,5,6)
• InChIKey: URQLUZWDFJCMDR-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 188.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	581.61
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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 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 131726283) is 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 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 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)C3CCN(CC(=O)c4ccc5c(c4)NC(=O)CS5)CC3)c2n1.O=C(O)C(=O)O.

What is the InChIKey of 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 URQLUZWDFJCMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4S.C2H2O4/c1-34-23-5-3-17-24(29-23)18(6-9-26-17)28-25(33)15-7-10-30(11-8-15)13-20(31)16-2-4-21-19(12-16)27-22(32)14-35-21;3-1(4)2(5)6/h2-6,9,12,15H,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 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?

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 581.61 g/mol, XLogP of 2.37, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 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 131726283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).