5-(1,1-dihydroxythiazinan-2-yl)-N-[[4-fluoro-2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide

C23H26FN5O5S — CID 70037780

About 5-(1,1-dihydroxythiazinan-2-yl)-N-[[4-fluoro-2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide

5-(1,1-dihydroxythiazinan-2-yl)-N-[[4-fluoro-2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide (PubChem CID 70037780) has the molecular formula C23H26FN5O5S and a molecular weight of 503.56 g/mol. Its IUPAC name is 5-(1,1-dihydroxythiazinan-2-yl)-N-[[4-fluoro-2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide.

Molecular Properties

• Compound Name: 5-(1,1-dihydroxythiazinan-2-yl)-N-[[4-fluoro-2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
• PubChem CID: 70037780
• Molecular Formula: C23H26FN5O5S
• Molecular Weight: 503.56 g/mol
• Exact Mass: 503.16
• IUPAC Name: 5-(1,1-dihydroxythiazinan-2-yl)-N-[[4-fluoro-2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
• SMILES: CNC(=O)Cc1cc(F)ccc1CNC(=O)c1nc(N2CCCCS2(O)O)c2cccnc2c1O
• InChI: InChI=1S/C23H26FN5O5S/c1-25-18(30)12-15-11-16(24)7-6-14(15)13-27-23(32)20-21(31)19-17(5-4-8-26-19)22(28-20)29-9-2-3-10-35(29,33)34/h4-8,11,31,33-34H,2-3,9-10,12-13H2,1H3,(H,25,30)(H,27,32)
• InChIKey: OUOOVAAAYVTPDV-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 147.91 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.56
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dihydroxythiazinan-2-yl)-N-[[4-fluoro-2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?

The IUPAC name of 5-(1,1-dihydroxythiazinan-2-yl)-N-[[4-fluoro-2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide (CID 70037780) is 5-(1,1-dihydroxythiazinan-2-yl)-N-[[4-fluoro-2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide.

What is the SMILES notation for 5-(1,1-dihydroxythiazinan-2-yl)-N-[[4-fluoro-2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?

The canonical SMILES for 5-(1,1-dihydroxythiazinan-2-yl)-N-[[4-fluoro-2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide is CNC(=O)Cc1cc(F)ccc1CNC(=O)c1nc(N2CCCCS2(O)O)c2cccnc2c1O.

What is the InChIKey of 5-(1,1-dihydroxythiazinan-2-yl)-N-[[4-fluoro-2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?

The InChIKey is OUOOVAAAYVTPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O5S/c1-25-18(30)12-15-11-16(24)7-6-14(15)13-27-23(32)20-21(31)19-17(5-4-8-26-19)22(28-20)29-9-2-3-10-35(29,33)34/h4-8,11,31,33-34H,2-3,9-10,12-13H2,1H3,(H,25,30)(H,27,32).

What are the key properties of 5-(1,1-dihydroxythiazinan-2-yl)-N-[[4-fluoro-2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?

5-(1,1-dihydroxythiazinan-2-yl)-N-[[4-fluoro-2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide has a molecular weight of 503.56 g/mol, XLogP of 2.96, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,1-dihydroxythiazinan-2-yl)-N-[[4-fluoro-2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 70037780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).