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

C21H20N8O4S — CID 10238872

IUPAC5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(tetrazol-1-yl)phenyl]methyl]-1,6-naphthyridine-7-carboxamide
SMILESO=C(NCc1ccccc1-n1cnnn1)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O
InChIInChI=1S/C21H20N8O4S/c30-19-17-15(7-5-9-22-17)20(29-10-3-4-11-34(29,32)33)25-18(19)21(31)23-12-14-6-1-2-8-16(14)28-13-24-26-27-28/h1-2,5-9,13,30H,3-4,10-12H2,(H,23,31)
InChIKeyVNVYZLQGUOARCO-UHFFFAOYSA-N
MW480.51 g/mol
LogP1.17
Rot. Bonds5

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

5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(tetrazol-1-yl)phenyl]methyl]-1,6-naphthyridine-7-carboxamide (PubChem CID 10238872) has the molecular formula C21H20N8O4S and a molecular weight of 480.51 g/mol. Its IUPAC name is 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(tetrazol-1-yl)phenyl]methyl]-1,6-naphthyridine-7-carboxamide.

Molecular Properties

Compound Name5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(tetrazol-1-yl)phenyl]methyl]-1,6-naphthyridine-7-carboxamide
PubChem CID10238872
Molecular FormulaC21H20N8O4S
Molecular Weight480.51 g/mol
Exact Mass480.13
IUPAC Name5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(tetrazol-1-yl)phenyl]methyl]-1,6-naphthyridine-7-carboxamide
SMILESO=C(NCc1ccccc1-n1cnnn1)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O
InChIInChI=1S/C21H20N8O4S/c30-19-17-15(7-5-9-22-17)20(29-10-3-4-11-34(29,32)33)25-18(19)21(31)23-12-14-6-1-2-8-16(14)28-13-24-26-27-28/h1-2,5-9,13,30H,3-4,10-12H2,(H,23,31)
InChIKeyVNVYZLQGUOARCO-UHFFFAOYSA-N
XLogP1.17
TPSA156.09 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.51
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(tetrazol-1-yl)phenyl]methyl]-1,6-naphthyridin-1-ium-7-carboxamide
CID 142808035
5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(methylcarbamoyl)phenyl]methyl]-1,6-naphthyridine-7-carboxamide
CID 3013404
5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[(2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide
CID 20816860
sodium;5-(1,1-dihydroxythiazinan-2-yl)-8-hydroxy-N-[(2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide;hydride
CID 173120770
5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-(naphthalen-2-ylmethyl)pyrido[3,4-b]pyrazine-7-carboxamide
CID 135984742
5-(1,1-dioxothiazinan-2-yl)-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 142215488
5-(1,1-dioxo-1,2,5-thiadiazepan-2-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 10303080
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
[5-(1,1-dioxothiazinan-2-yl)-7-[(4-fluorophenyl)methylcarbamoyl]-1,6-naphthyridin-8-yl] 4-methylbenzenesulfonate
CID 59983162
N-[[2-(1,1-dioxothiazinan-2-yl)phenyl]methyl]-5-hydroxy-1-methyl-6-oxo-2-(oxolan-3-yl)pyrimidine-4-carboxamide
CID 54751383
N-[[2-(1,1-dioxothiazinan-2-yl)phenyl]methyl]-3-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclopentane]-2-carboxamide
CID 54683925
5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxylic acid
CID 70038018

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(tetrazol-1-yl)phenyl]methyl]-1,6-naphthyridine-7-carboxamide?
The IUPAC name of 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(tetrazol-1-yl)phenyl]methyl]-1,6-naphthyridine-7-carboxamide (CID 10238872) is 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(tetrazol-1-yl)phenyl]methyl]-1,6-naphthyridine-7-carboxamide.
What is the SMILES notation for 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(tetrazol-1-yl)phenyl]methyl]-1,6-naphthyridine-7-carboxamide?
The canonical SMILES for 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(tetrazol-1-yl)phenyl]methyl]-1,6-naphthyridine-7-carboxamide is O=C(NCc1ccccc1-n1cnnn1)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O.
What is the InChIKey of 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(tetrazol-1-yl)phenyl]methyl]-1,6-naphthyridine-7-carboxamide?
The InChIKey is VNVYZLQGUOARCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O4S/c30-19-17-15(7-5-9-22-17)20(29-10-3-4-11-34(29,32)33)25-18(19)21(31)23-12-14-6-1-2-8-16(14)28-13-24-26-27-28/h1-2,5-9,13,30H,3-4,10-12H2,(H,23,31).
What are the key properties of 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(tetrazol-1-yl)phenyl]methyl]-1,6-naphthyridine-7-carboxamide?
5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(tetrazol-1-yl)phenyl]methyl]-1,6-naphthyridine-7-carboxamide has a molecular weight of 480.51 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(tetrazol-1-yl)phenyl]methyl]-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 10238872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).