5-(1,1-dioxothiazinan-2-yl)-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide

C21H24N4O4S — CID 142215488

About 5-(1,1-dioxothiazinan-2-yl)-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide

5-(1,1-dioxothiazinan-2-yl)-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide (PubChem CID 142215488) has the molecular formula C21H24N4O4S and a molecular weight of 428.51 g/mol. Its IUPAC name is 5-(1,1-dioxothiazinan-2-yl)-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide.

Molecular Properties

• Compound Name: 5-(1,1-dioxothiazinan-2-yl)-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
• PubChem CID: 142215488
• Molecular Formula: C21H24N4O4S
• Molecular Weight: 428.51 g/mol
• Exact Mass: 428.15
• IUPAC Name: 5-(1,1-dioxothiazinan-2-yl)-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
• SMILES: C=C/C=C\C(=C/C)CNC(=O)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O
• InChI: InChI=1S/C21H24N4O4S/c1-3-5-9-15(4-2)14-23-21(27)18-19(26)17-16(10-8-11-22-17)20(24-18)25-12-6-7-13-30(25,28)29/h3-5,8-11,26H,1,6-7,12-14H2,2H3,(H,23,27)/b9-5-,15-4+
• InChIKey: XSOFVHKOEWCEQT-FIYRGAQJSA-N
• XLogP: 2.68
• TPSA: 112.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.51
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dioxothiazinan-2-yl)-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?

The IUPAC name of 5-(1,1-dioxothiazinan-2-yl)-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide (CID 142215488) is 5-(1,1-dioxothiazinan-2-yl)-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide.

What is the SMILES notation for 5-(1,1-dioxothiazinan-2-yl)-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?

The canonical SMILES for 5-(1,1-dioxothiazinan-2-yl)-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide is C=C/C=C\C(=C/C)CNC(=O)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O.

What is the InChIKey of 5-(1,1-dioxothiazinan-2-yl)-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?

The InChIKey is XSOFVHKOEWCEQT-FIYRGAQJSA-N. The full InChI is InChI=1S/C21H24N4O4S/c1-3-5-9-15(4-2)14-23-21(27)18-19(26)17-16(10-8-11-22-17)20(24-18)25-12-6-7-13-30(25,28)29/h3-5,8-11,26H,1,6-7,12-14H2,2H3,(H,23,27)/b9-5-,15-4+.

What are the key properties of 5-(1,1-dioxothiazinan-2-yl)-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?

5-(1,1-dioxothiazinan-2-yl)-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide has a molecular weight of 428.51 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,1-dioxothiazinan-2-yl)-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 142215488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).