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

C21H21N8O4S+ — CID 142808035

IUPAC5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(tetrazol-1-yl)phenyl]methyl]-1,6-naphthyridin-1-ium-7-carboxamide
SMILESO=C(NCc1ccccc1-n1cnnn1)c1nc(N2CCCCS2(=O)=O)c2ccc[nH+]c2c1O
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)/p+1
InChIKeyVNVYZLQGUOARCO-UHFFFAOYSA-O
MW481.52 g/mol
LogP0.59
Rot. Bonds5

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

5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(tetrazol-1-yl)phenyl]methyl]-1,6-naphthyridin-1-ium-7-carboxamide (PubChem CID 142808035) has the molecular formula C21H21N8O4S+ and a molecular weight of 481.52 g/mol. Its IUPAC name is 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(tetrazol-1-yl)phenyl]methyl]-1,6-naphthyridin-1-ium-7-carboxamide.

Molecular Properties

Compound Name5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(tetrazol-1-yl)phenyl]methyl]-1,6-naphthyridin-1-ium-7-carboxamide
PubChem CID142808035
Molecular FormulaC21H21N8O4S+
Molecular Weight481.52 g/mol
Exact Mass481.14
IUPAC Name5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(tetrazol-1-yl)phenyl]methyl]-1,6-naphthyridin-1-ium-7-carboxamide
SMILESO=C(NCc1ccccc1-n1cnnn1)c1nc(N2CCCCS2(=O)=O)c2ccc[nH+]c2c1O
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)/p+1
InChIKeyVNVYZLQGUOARCO-UHFFFAOYSA-O
XLogP0.59
TPSA157.34 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.52
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(tetrazol-1-yl)phenyl]methyl]-1,6-naphthyridin-1-ium-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-naphthyridin-1-ium-7-carboxamide?
The IUPAC name of 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(tetrazol-1-yl)phenyl]methyl]-1,6-naphthyridin-1-ium-7-carboxamide (CID 142808035) is 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(tetrazol-1-yl)phenyl]methyl]-1,6-naphthyridin-1-ium-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-naphthyridin-1-ium-7-carboxamide?
The canonical SMILES for 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(tetrazol-1-yl)phenyl]methyl]-1,6-naphthyridin-1-ium-7-carboxamide is O=C(NCc1ccccc1-n1cnnn1)c1nc(N2CCCCS2(=O)=O)c2ccc[nH+]c2c1O.
What is the InChIKey of 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(tetrazol-1-yl)phenyl]methyl]-1,6-naphthyridin-1-ium-7-carboxamide?
The InChIKey is VNVYZLQGUOARCO-UHFFFAOYSA-O. 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)/p+1.
What are the key properties of 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(tetrazol-1-yl)phenyl]methyl]-1,6-naphthyridin-1-ium-7-carboxamide?
5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(tetrazol-1-yl)phenyl]methyl]-1,6-naphthyridin-1-ium-7-carboxamide has a molecular weight of 481.52 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 9 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-naphthyridin-1-ium-7-carboxamide is sourced from PubChem (CID 142808035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).