5-(1,1-dihydroxythiazinan-2-yl)-N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide

C21H23FN4O5S2 — CID 91317575

IUPAC5-(1,1-dihydroxythiazinan-2-yl)-N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide
SMILESCS(=O)(=O)c1cc(F)ccc1CNC(=O)c1cc2ncccc2c(N2CCCCS2(O)O)n1
InChIInChI=1S/C21H23FN4O5S2/c1-32(28,29)19-11-15(22)7-6-14(19)13-24-21(27)18-12-17-16(5-4-8-23-17)20(25-18)26-9-2-3-10-33(26,30)31/h4-8,11-12,30-31H,2-3,9-10,13H2,1H3,(H,24,27)
InChIKeyQWAHPJSEAZBPDU-UHFFFAOYSA-N
MW494.57 g/mol
LogP3.37
Rot. Bonds5

About 5-(1,1-dihydroxythiazinan-2-yl)-N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide

5-(1,1-dihydroxythiazinan-2-yl)-N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide (PubChem CID 91317575) has the molecular formula C21H23FN4O5S2 and a molecular weight of 494.57 g/mol. Its IUPAC name is 5-(1,1-dihydroxythiazinan-2-yl)-N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide.

Molecular Properties

Compound Name5-(1,1-dihydroxythiazinan-2-yl)-N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide
PubChem CID91317575
Molecular FormulaC21H23FN4O5S2
Molecular Weight494.57 g/mol
Exact Mass494.11
IUPAC Name5-(1,1-dihydroxythiazinan-2-yl)-N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide
SMILESCS(=O)(=O)c1cc(F)ccc1CNC(=O)c1cc2ncccc2c(N2CCCCS2(O)O)n1
InChIInChI=1S/C21H23FN4O5S2/c1-32(28,29)19-11-15(22)7-6-14(19)13-24-21(27)18-12-17-16(5-4-8-23-17)20(25-18)26-9-2-3-10-33(26,30)31/h4-8,11-12,30-31H,2-3,9-10,13H2,1H3,(H,24,27)
InChIKeyQWAHPJSEAZBPDU-UHFFFAOYSA-N
XLogP3.37
TPSA132.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.57
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dihydroxythiazinan-2-yl)-N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide?
The IUPAC name of 5-(1,1-dihydroxythiazinan-2-yl)-N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide (CID 91317575) is 5-(1,1-dihydroxythiazinan-2-yl)-N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide.
What is the SMILES notation for 5-(1,1-dihydroxythiazinan-2-yl)-N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide?
The canonical SMILES for 5-(1,1-dihydroxythiazinan-2-yl)-N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide is CS(=O)(=O)c1cc(F)ccc1CNC(=O)c1cc2ncccc2c(N2CCCCS2(O)O)n1.
What is the InChIKey of 5-(1,1-dihydroxythiazinan-2-yl)-N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide?
The InChIKey is QWAHPJSEAZBPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O5S2/c1-32(28,29)19-11-15(22)7-6-14(19)13-24-21(27)18-12-17-16(5-4-8-23-17)20(25-18)26-9-2-3-10-33(26,30)31/h4-8,11-12,30-31H,2-3,9-10,13H2,1H3,(H,24,27).
What are the key properties of 5-(1,1-dihydroxythiazinan-2-yl)-N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide?
5-(1,1-dihydroxythiazinan-2-yl)-N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide has a molecular weight of 494.57 g/mol, XLogP of 3.37, 5 rotatable bonds, 3 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-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 91317575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).