5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(methylcarbamoyl)phenyl]methyl]-1,6-naphthyridine-7-carboxamide

C22H23N5O5S — CID 3013404

About 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(methylcarbamoyl)phenyl]methyl]-1,6-naphthyridine-7-carboxamide

5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(methylcarbamoyl)phenyl]methyl]-1,6-naphthyridine-7-carboxamide (PubChem CID 3013404) has the molecular formula C22H23N5O5S and a molecular weight of 469.52 g/mol. Its IUPAC name is 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(methylcarbamoyl)phenyl]methyl]-1,6-naphthyridine-7-carboxamide.

Molecular Properties

• Compound Name: 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(methylcarbamoyl)phenyl]methyl]-1,6-naphthyridine-7-carboxamide
• PubChem CID: 3013404
• Molecular Formula: C22H23N5O5S
• Molecular Weight: 469.52 g/mol
• Exact Mass: 469.14
• IUPAC Name: 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(methylcarbamoyl)phenyl]methyl]-1,6-naphthyridine-7-carboxamide
• SMILES: CNC(=O)c1ccccc1CNC(=O)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O
• InChI: InChI=1S/C22H23N5O5S/c1-23-21(29)15-8-3-2-7-14(15)13-25-22(30)18-19(28)17-16(9-6-10-24-17)20(26-18)27-11-4-5-12-33(27,31)32/h2-3,6-10,28H,4-5,11-13H2,1H3,(H,23,29)(H,25,30)
• InChIKey: HGZPYJPZZSEFKV-UHFFFAOYSA-N
• XLogP: 1.55
• TPSA: 141.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.52
LogP ≤ 5	1.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(methylcarbamoyl)phenyl]methyl]-1,6-naphthyridine-7-carboxamide?

The IUPAC name of 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(methylcarbamoyl)phenyl]methyl]-1,6-naphthyridine-7-carboxamide (CID 3013404) is 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(methylcarbamoyl)phenyl]methyl]-1,6-naphthyridine-7-carboxamide.

What is the SMILES notation for 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(methylcarbamoyl)phenyl]methyl]-1,6-naphthyridine-7-carboxamide?

The canonical SMILES for 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(methylcarbamoyl)phenyl]methyl]-1,6-naphthyridine-7-carboxamide is CNC(=O)c1ccccc1CNC(=O)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O.

What is the InChIKey of 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(methylcarbamoyl)phenyl]methyl]-1,6-naphthyridine-7-carboxamide?

The InChIKey is HGZPYJPZZSEFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O5S/c1-23-21(29)15-8-3-2-7-14(15)13-25-22(30)18-19(28)17-16(9-6-10-24-17)20(26-18)27-11-4-5-12-33(27,31)32/h2-3,6-10,28H,4-5,11-13H2,1H3,(H,23,29)(H,25,30).

What are the key properties of 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(methylcarbamoyl)phenyl]methyl]-1,6-naphthyridine-7-carboxamide?

5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(methylcarbamoyl)phenyl]methyl]-1,6-naphthyridine-7-carboxamide has a molecular weight of 469.52 g/mol, XLogP of 1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(methylcarbamoyl)phenyl]methyl]-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 3013404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).