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

C19H19N5O4S — CID 146723409

IUPACN-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-cyanopyridine-4-carboxamide
SMILESCC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(C#N)c1
InChIInChI=1S/C19H19N5O4S/c1-19(2,23-18(25)12-6-7-22-14(8-12)9-20)11-28-15-5-3-4-13-10-29(26,27)24-17(21)16(13)15/h3-8H,10-11H2,1-2H3,(H2,21,24)(H,23,25)
InChIKeyRFKRJNYILKDOCC-UHFFFAOYSA-N
MW413.46 g/mol
LogP1.09
Rot. Bonds5

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

N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-cyanopyridine-4-carboxamide (PubChem CID 146723409) has the molecular formula C19H19N5O4S and a molecular weight of 413.46 g/mol. Its IUPAC name is N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-cyanopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-cyanopyridine-4-carboxamide
PubChem CID146723409
Molecular FormulaC19H19N5O4S
Molecular Weight413.46 g/mol
Exact Mass413.12
IUPAC NameN-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-cyanopyridine-4-carboxamide
SMILESCC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(C#N)c1
InChIInChI=1S/C19H19N5O4S/c1-19(2,23-18(25)12-6-7-22-14(8-12)9-20)11-28-15-5-3-4-13-10-29(26,27)24-17(21)16(13)15/h3-8H,10-11H2,1-2H3,(H2,21,24)(H,23,25)
InChIKeyRFKRJNYILKDOCC-UHFFFAOYSA-N
XLogP1.09
TPSA147.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-cyanopyridine-4-carboxamide?
The IUPAC name of N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-cyanopyridine-4-carboxamide (CID 146723409) is N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-cyanopyridine-4-carboxamide.
What is the SMILES notation for N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-cyanopyridine-4-carboxamide?
The canonical SMILES for N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-cyanopyridine-4-carboxamide is CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(C#N)c1.
What is the InChIKey of N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-cyanopyridine-4-carboxamide?
The InChIKey is RFKRJNYILKDOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4S/c1-19(2,23-18(25)12-6-7-22-14(8-12)9-20)11-28-15-5-3-4-13-10-29(26,27)24-17(21)16(13)15/h3-8H,10-11H2,1-2H3,(H2,21,24)(H,23,25).
What are the key properties of N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-cyanopyridine-4-carboxamide?
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-cyanopyridine-4-carboxamide has a molecular weight of 413.46 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 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-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-cyanopyridine-4-carboxamide is sourced from PubChem (CID 146723409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).