N-[1-[(4-amino-2,2-dihydroxy-1H-2λ4,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methylpyridine-4-carboxamide

C18H23N5O4S — CID 90344136

IUPACN-[1-[(4-amino-2,2-dihydroxy-1H-2λ4,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)(C)COc2cccc3c2C(N)=NS(O)(O)N3)ccn1
InChIInChI=1S/C18H23N5O4S/c1-11-9-12(7-8-20-11)17(24)21-18(2,3)10-27-14-6-4-5-13-15(14)16(19)23-28(25,26)22-13/h4-9,22,25-26H,10H2,1-3H3,(H2,19,23)(H,21,24)
InChIKeyFXPCDAKUUMYGOQ-UHFFFAOYSA-N
MW405.48 g/mol
LogP2.69
Rot. Bonds5

About N-[1-[(4-amino-2,2-dihydroxy-1H-2λ4,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methylpyridine-4-carboxamide

N-[1-[(4-amino-2,2-dihydroxy-1H-2λ4,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methylpyridine-4-carboxamide (PubChem CID 90344136) has the molecular formula C18H23N5O4S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[1-[(4-amino-2,2-dihydroxy-1H-2λ4,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-amino-2,2-dihydroxy-1H-2λ4,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methylpyridine-4-carboxamide
PubChem CID90344136
Molecular FormulaC18H23N5O4S
Molecular Weight405.48 g/mol
Exact Mass405.15
IUPAC NameN-[1-[(4-amino-2,2-dihydroxy-1H-2λ4,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)(C)COc2cccc3c2C(N)=NS(O)(O)N3)ccn1
InChIInChI=1S/C18H23N5O4S/c1-11-9-12(7-8-20-11)17(24)21-18(2,3)10-27-14-6-4-5-13-15(14)16(19)23-28(25,26)22-13/h4-9,22,25-26H,10H2,1-3H3,(H2,19,23)(H,21,24)
InChIKeyFXPCDAKUUMYGOQ-UHFFFAOYSA-N
XLogP2.69
TPSA142.09 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 52.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze N-[1-[(4-amino-2,2-dihydroxy-1H-2λ4,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methylpyridine-4-carboxamide with MolForge

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Related Compounds

N-[1-[(4-amino-2,2-dihydroxy-1H-2λ4,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2,4-dimethylimidazol-1-yl)pyridine-4-carboxamide
CID 90358305
N-[1-[(4-amino-2,2-dihydroxy-1H-2λ4,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-[5-(hydroxymethyl)-4-methylimidazol-1-yl]pyridine-4-carboxamide
CID 126505106
N-[1-[(4-amino-2,2-dihydroxy-1H-2λ4,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-[4-(methylcarbamoyl)imidazol-1-yl]pyridine-4-carboxamide
CID 126505129
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(methylamino)pyridine-4-carboxamide
CID 85469556
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methylsulfanylpyridine-4-carboxamide
CID 144688564
4-[[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]carbamoyl]pyridine-2-sulfinic acid
CID 90372511
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2,5-dimethylpyrrol-1-yl)pyridine-4-carboxamide
CID 174193424
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3-methylphenyl)pyridine-4-carboxamide
CID 174193408
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(propylamino)pyridine-4-carboxamide
CID 174193433
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(propanoylamino)pyridine-4-carboxamide
CID 90372283
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-methylimidazol-1-yl)pyridine-4-carboxamide
CID 85468883
N-[1-[(4-amino-2,2-dihydroxy-1H-2λ4,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-ylpyrimidine-4-carboxamide
CID 126505558

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-amino-2,2-dihydroxy-1H-2λ4,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methylpyridine-4-carboxamide?
The IUPAC name of N-[1-[(4-amino-2,2-dihydroxy-1H-2λ4,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methylpyridine-4-carboxamide (CID 90344136) is N-[1-[(4-amino-2,2-dihydroxy-1H-2λ4,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[1-[(4-amino-2,2-dihydroxy-1H-2λ4,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-[1-[(4-amino-2,2-dihydroxy-1H-2λ4,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methylpyridine-4-carboxamide is Cc1cc(C(=O)NC(C)(C)COc2cccc3c2C(N)=NS(O)(O)N3)ccn1.
What is the InChIKey of N-[1-[(4-amino-2,2-dihydroxy-1H-2λ4,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methylpyridine-4-carboxamide?
The InChIKey is FXPCDAKUUMYGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O4S/c1-11-9-12(7-8-20-11)17(24)21-18(2,3)10-27-14-6-4-5-13-15(14)16(19)23-28(25,26)22-13/h4-9,22,25-26H,10H2,1-3H3,(H2,19,23)(H,21,24).
What are the key properties of N-[1-[(4-amino-2,2-dihydroxy-1H-2λ4,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methylpyridine-4-carboxamide?
N-[1-[(4-amino-2,2-dihydroxy-1H-2λ4,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methylpyridine-4-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 2.69, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-amino-2,2-dihydroxy-1H-2λ4,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 90344136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).