N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-3-hydroxypyridine-4-carboxamide

C17H19N5O5S — CID 90372512

IUPACN-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-3-hydroxypyridine-4-carboxamide
SMILESCC(C)(COc1cccc2c1C(N)=NS(=O)(=O)N2)NC(=O)c1ccncc1O
InChIInChI=1S/C17H19N5O5S/c1-17(2,20-16(24)10-6-7-19-8-12(10)23)9-27-13-5-3-4-11-14(13)15(18)22-28(25,26)21-11/h3-8,21,23H,9H2,1-2H3,(H2,18,22)(H,20,24)
InChIKeyLSTUANJTGADDFN-UHFFFAOYSA-N
MW405.44 g/mol
LogP0.75
Rot. Bonds5

About N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-3-hydroxypyridine-4-carboxamide

N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-3-hydroxypyridine-4-carboxamide (PubChem CID 90372512) has the molecular formula C17H19N5O5S and a molecular weight of 405.44 g/mol. Its IUPAC name is N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-3-hydroxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-3-hydroxypyridine-4-carboxamide
PubChem CID90372512
Molecular FormulaC17H19N5O5S
Molecular Weight405.44 g/mol
Exact Mass405.11
IUPAC NameN-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-3-hydroxypyridine-4-carboxamide
SMILESCC(C)(COc1cccc2c1C(N)=NS(=O)(=O)N2)NC(=O)c1ccncc1O
InChIInChI=1S/C17H19N5O5S/c1-17(2,20-16(24)10-6-7-19-8-12(10)23)9-27-13-5-3-4-11-14(13)15(18)22-28(25,26)21-11/h3-8,21,23H,9H2,1-2H3,(H2,18,22)(H,20,24)
InChIKeyLSTUANJTGADDFN-UHFFFAOYSA-N
XLogP0.75
TPSA156.00 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.44
LogP ≤ 50.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-3-hydroxypyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-3-hydroxypyridine-4-carboxamide?
The IUPAC name of N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-3-hydroxypyridine-4-carboxamide (CID 90372512) is N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-3-hydroxypyridine-4-carboxamide.
What is the SMILES notation for N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-3-hydroxypyridine-4-carboxamide?
The canonical SMILES for N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-3-hydroxypyridine-4-carboxamide is CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)N2)NC(=O)c1ccncc1O.
What is the InChIKey of N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-3-hydroxypyridine-4-carboxamide?
The InChIKey is LSTUANJTGADDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O5S/c1-17(2,20-16(24)10-6-7-19-8-12(10)23)9-27-13-5-3-4-11-14(13)15(18)22-28(25,26)21-11/h3-8,21,23H,9H2,1-2H3,(H2,18,22)(H,20,24).
What are the key properties of N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-3-hydroxypyridine-4-carboxamide?
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-3-hydroxypyridine-4-carboxamide has a molecular weight of 405.44 g/mol, XLogP of 0.75, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-3-hydroxypyridine-4-carboxamide is sourced from PubChem (CID 90372512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).