N-[1-[(4-amino-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indol-1-ylpyridine-4-carboxamide

C25H24N6O2S — CID 144688403

IUPACN-[1-[(4-amino-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indol-1-ylpyridine-4-carboxamide
SMILESCC(C)(COc1cccc2c1C(N)=NSN2)NC(=O)c1ccnc(-n2ccc3ccccc32)c1
InChIInChI=1S/C25H24N6O2S/c1-25(2,15-33-20-9-5-7-18-22(20)23(26)30-34-29-18)28-24(32)17-10-12-27-21(14-17)31-13-11-16-6-3-4-8-19(16)31/h3-14,29H,15H2,1-2H3,(H2,26,30)(H,28,32)
InChIKeyLWESKTOVFBPYKY-UHFFFAOYSA-N
MW472.57 g/mol
LogP4.31
Rot. Bonds6

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

N-[1-[(4-amino-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indol-1-ylpyridine-4-carboxamide (PubChem CID 144688403) has the molecular formula C25H24N6O2S and a molecular weight of 472.57 g/mol. Its IUPAC name is N-[1-[(4-amino-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indol-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-amino-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indol-1-ylpyridine-4-carboxamide
PubChem CID144688403
Molecular FormulaC25H24N6O2S
Molecular Weight472.57 g/mol
Exact Mass472.17
IUPAC NameN-[1-[(4-amino-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indol-1-ylpyridine-4-carboxamide
SMILESCC(C)(COc1cccc2c1C(N)=NSN2)NC(=O)c1ccnc(-n2ccc3ccccc32)c1
InChIInChI=1S/C25H24N6O2S/c1-25(2,15-33-20-9-5-7-18-22(20)23(26)30-34-29-18)28-24(32)17-10-12-27-21(14-17)31-13-11-16-6-3-4-8-19(16)31/h3-14,29H,15H2,1-2H3,(H2,26,30)(H,28,32)
InChIKeyLWESKTOVFBPYKY-UHFFFAOYSA-N
XLogP4.31
TPSA106.56 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-[(4-amino-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-ethylimidazol-1-yl)pyridine-4-carboxamide
CID 144688467
N-[1-[(4-amino-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-oxopyrrolidin-1-yl)pyridine-4-carboxamide
CID 144688411
N-[1-[(4-amino-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2,5-dimethylimidazol-1-yl)pyridine-4-carboxamide
CID 144688458
N-[1-[(4-amino-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-[4-(methylcarbamoyl)imidazol-1-yl]pyridine-4-carboxamide
CID 144688494
N-[1-[(4-amino-2-methylidene-2-oxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indazol-1-ylpyridine-4-carboxamide
CID 123990774
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-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-propan-2-ylimidazol-1-yl)pyridine-4-carboxamide
CID 85468756
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-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-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-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-dihydroxy-1H-2λ4,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methylpyridine-4-carboxamide
CID 90344136

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-amino-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indol-1-ylpyridine-4-carboxamide?
The IUPAC name of N-[1-[(4-amino-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indol-1-ylpyridine-4-carboxamide (CID 144688403) is N-[1-[(4-amino-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indol-1-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[1-[(4-amino-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indol-1-ylpyridine-4-carboxamide?
The canonical SMILES for N-[1-[(4-amino-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indol-1-ylpyridine-4-carboxamide is CC(C)(COc1cccc2c1C(N)=NSN2)NC(=O)c1ccnc(-n2ccc3ccccc32)c1.
What is the InChIKey of N-[1-[(4-amino-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indol-1-ylpyridine-4-carboxamide?
The InChIKey is LWESKTOVFBPYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2S/c1-25(2,15-33-20-9-5-7-18-22(20)23(26)30-34-29-18)28-24(32)17-10-12-27-21(14-17)31-13-11-16-6-3-4-8-19(16)31/h3-14,29H,15H2,1-2H3,(H2,26,30)(H,28,32).
What are the key properties of N-[1-[(4-amino-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indol-1-ylpyridine-4-carboxamide?
N-[1-[(4-amino-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indol-1-ylpyridine-4-carboxamide has a molecular weight of 472.57 g/mol, XLogP of 4.31, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-amino-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indol-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 144688403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).