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

C20H24N4O5S — CID 146973147

IUPACN-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(methoxymethyl)pyridine-4-carboxamide
SMILESCOCc1cc(C(=O)NC(C)(C)COc2cccc3c2C(N)=NS(=O)(=O)C3)ccn1
InChIInChI=1S/C20H24N4O5S/c1-20(2,23-19(25)13-7-8-22-15(9-13)10-28-3)12-29-16-6-4-5-14-11-30(26,27)24-18(21)17(14)16/h4-9H,10-12H2,1-3H3,(H2,21,24)(H,23,25)
InChIKeyAMVCWMCXZUOUTI-UHFFFAOYSA-N
MW432.50 g/mol
LogP1.36
Rot. Bonds7

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

N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(methoxymethyl)pyridine-4-carboxamide (PubChem CID 146973147) has the molecular formula C20H24N4O5S and a molecular weight of 432.50 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-(methoxymethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(methoxymethyl)pyridine-4-carboxamide
PubChem CID146973147
Molecular FormulaC20H24N4O5S
Molecular Weight432.50 g/mol
Exact Mass432.15
IUPAC NameN-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(methoxymethyl)pyridine-4-carboxamide
SMILESCOCc1cc(C(=O)NC(C)(C)COc2cccc3c2C(N)=NS(=O)(=O)C3)ccn1
InChIInChI=1S/C20H24N4O5S/c1-20(2,23-19(25)13-7-8-22-15(9-13)10-28-3)12-29-16-6-4-5-14-11-30(26,27)24-18(21)17(14)16/h4-9H,10-12H2,1-3H3,(H2,21,24)(H,23,25)
InChIKeyAMVCWMCXZUOUTI-UHFFFAOYSA-N
XLogP1.36
TPSA132.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 51.36
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-(methoxymethyl)pyridine-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-(methoxymethyl)pyridine-4-carboxamide (CID 146973147) is N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(methoxymethyl)pyridine-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-(methoxymethyl)pyridine-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-(methoxymethyl)pyridine-4-carboxamide is COCc1cc(C(=O)NC(C)(C)COc2cccc3c2C(N)=NS(=O)(=O)C3)ccn1.
What is the InChIKey of N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(methoxymethyl)pyridine-4-carboxamide?
The InChIKey is AMVCWMCXZUOUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5S/c1-20(2,23-19(25)13-7-8-22-15(9-13)10-28-3)12-29-16-6-4-5-14-11-30(26,27)24-18(21)17(14)16/h4-9H,10-12H2,1-3H3,(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-(methoxymethyl)pyridine-4-carboxamide?
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(methoxymethyl)pyridine-4-carboxamide has a molecular weight of 432.50 g/mol, XLogP of 1.36, 7 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-(methoxymethyl)pyridine-4-carboxamide is sourced from PubChem (CID 146973147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).