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

C22H24N6O4S — CID 148532023

IUPACN-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-methylimidazol-1-yl)pyridine-4-carboxamide
SMILESCc1cn(-c2cc(C(=O)NC(C)(C)COc3cccc4c3C(N)=NS(=O)(=O)C4)ccn2)cn1
InChIInChI=1S/C22H24N6O4S/c1-14-10-28(13-25-14)18-9-15(7-8-24-18)21(29)26-22(2,3)12-32-17-6-4-5-16-11-33(30,31)27-20(23)19(16)17/h4-10,13H,11-12H2,1-3H3,(H2,23,27)(H,26,29)
InChIKeyMQMBAVQVROVUBM-UHFFFAOYSA-N
MW468.54 g/mol
LogP1.71
Rot. Bonds6

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

N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-methylimidazol-1-yl)pyridine-4-carboxamide (PubChem CID 148532023) has the molecular formula C22H24N6O4S and a molecular weight of 468.54 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-(4-methylimidazol-1-yl)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-(4-methylimidazol-1-yl)pyridine-4-carboxamide
PubChem CID148532023
Molecular FormulaC22H24N6O4S
Molecular Weight468.54 g/mol
Exact Mass468.16
IUPAC NameN-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-methylimidazol-1-yl)pyridine-4-carboxamide
SMILESCc1cn(-c2cc(C(=O)NC(C)(C)COc3cccc4c3C(N)=NS(=O)(=O)C4)ccn2)cn1
InChIInChI=1S/C22H24N6O4S/c1-14-10-28(13-25-14)18-9-15(7-8-24-18)21(29)26-22(2,3)12-32-17-6-4-5-16-11-33(30,31)27-20(23)19(16)17/h4-10,13H,11-12H2,1-3H3,(H2,23,27)(H,26,29)
InChIKeyMQMBAVQVROVUBM-UHFFFAOYSA-N
XLogP1.71
TPSA141.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

PF-03716556
CID 25134521
N-(2-hydroxyethyl)-N,2-dimethyl-8-[(5-methyl-3,4-dihydro-2H-chromen-4-yl)amino]imidazo[1,2-a]pyridine-6-carboxamide
CID 16047026
N-[2-[3-[2-(dimethylamino)ethoxy]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide
CID 44223178
3-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[2-(trifluoromethyl)phenoxy]methyl]imidazo[1,2-a]pyridine-7-carboxamide
CID 146550283
N-[1-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-fluorophenyl)pyridine-4-carboxamide
CID 157551225
N-[1-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3-fluorophenyl)pyridine-4-carboxamide
CID 157775209
N-[1-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-piperazin-4-ium-1-ylpyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 158731522
N-[1-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-3-fluoropyridine-4-carboxamide
CID 159592523
N-[1-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-fluoropyridine-4-carboxamide
CID 161529998
N-[2-[3-[(6-fluorocyclohexa-1,5-dien-1-yl)methoxy]phenyl]propan-2-yl]imidazo[1,2-a]pyridine-7-carboxamide
CID 164843729
N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 24677286
N-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 136543662

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-(4-methylimidazol-1-yl)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-(4-methylimidazol-1-yl)pyridine-4-carboxamide (CID 148532023) is N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-methylimidazol-1-yl)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-(4-methylimidazol-1-yl)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-(4-methylimidazol-1-yl)pyridine-4-carboxamide is Cc1cn(-c2cc(C(=O)NC(C)(C)COc3cccc4c3C(N)=NS(=O)(=O)C4)ccn2)cn1.
What is the InChIKey of N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-methylimidazol-1-yl)pyridine-4-carboxamide?
The InChIKey is MQMBAVQVROVUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O4S/c1-14-10-28(13-25-14)18-9-15(7-8-24-18)21(29)26-22(2,3)12-32-17-6-4-5-16-11-33(30,31)27-20(23)19(16)17/h4-10,13H,11-12H2,1-3H3,(H2,23,27)(H,26,29).
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-(4-methylimidazol-1-yl)pyridine-4-carboxamide?
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-methylimidazol-1-yl)pyridine-4-carboxamide has a molecular weight of 468.54 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 8 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-(4-methylimidazol-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 148532023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).