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

C22H25N7O2S — CID 144688467

IUPACN-[1-[(4-amino-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-ethylimidazol-1-yl)pyridine-4-carboxamide
SMILESCCc1nccn1-c1cc(C(=O)NC(C)(C)COc2cccc3c2C(N)=NSN3)ccn1
InChIInChI=1S/C22H25N7O2S/c1-4-17-25-10-11-29(17)18-12-14(8-9-24-18)21(30)26-22(2,3)13-31-16-7-5-6-15-19(16)20(23)28-32-27-15/h5-12,27H,4,13H2,1-3H3,(H2,23,28)(H,26,30)
InChIKeyJVHPREKTCSNZQZ-UHFFFAOYSA-N
MW451.56 g/mol
LogP3.11
Rot. Bonds7

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

N-[1-[(4-amino-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-ethylimidazol-1-yl)pyridine-4-carboxamide (PubChem CID 144688467) has the molecular formula C22H25N7O2S and a molecular weight of 451.56 g/mol. Its IUPAC name is N-[1-[(4-amino-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-ethylimidazol-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-amino-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-ethylimidazol-1-yl)pyridine-4-carboxamide
PubChem CID144688467
Molecular FormulaC22H25N7O2S
Molecular Weight451.56 g/mol
Exact Mass451.18
IUPAC NameN-[1-[(4-amino-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-ethylimidazol-1-yl)pyridine-4-carboxamide
SMILESCCc1nccn1-c1cc(C(=O)NC(C)(C)COc2cccc3c2C(N)=NSN3)ccn1
InChIInChI=1S/C22H25N7O2S/c1-4-17-25-10-11-29(17)18-12-14(8-9-24-18)21(30)26-22(2,3)13-31-16-7-5-6-15-19(16)20(23)28-32-27-15/h5-12,27H,4,13H2,1-3H3,(H2,23,28)(H,26,30)
InChIKeyJVHPREKTCSNZQZ-UHFFFAOYSA-N
XLogP3.11
TPSA119.45 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.56
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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-indol-1-ylpyridine-4-carboxamide
CID 144688403
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-2,2-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-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-(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-methylpyridine-4-carboxamide
CID 90344136
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]-2,6-di(imidazol-1-yl)pyridine-4-carboxamide
CID 90372560

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-(2-ethylimidazol-1-yl)pyridine-4-carboxamide?
The IUPAC name of 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) is N-[1-[(4-amino-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-ethylimidazol-1-yl)pyridine-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-(2-ethylimidazol-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[1-[(4-amino-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-ethylimidazol-1-yl)pyridine-4-carboxamide is CCc1nccn1-c1cc(C(=O)NC(C)(C)COc2cccc3c2C(N)=NSN3)ccn1.
What is the InChIKey of N-[1-[(4-amino-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-ethylimidazol-1-yl)pyridine-4-carboxamide?
The InChIKey is JVHPREKTCSNZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2S/c1-4-17-25-10-11-29(17)18-12-14(8-9-24-18)21(30)26-22(2,3)13-31-16-7-5-6-15-19(16)20(23)28-32-27-15/h5-12,27H,4,13H2,1-3H3,(H2,23,28)(H,26,30).
What are the key properties of N-[1-[(4-amino-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-ethylimidazol-1-yl)pyridine-4-carboxamide?
N-[1-[(4-amino-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-ethylimidazol-1-yl)pyridine-4-carboxamide has a molecular weight of 451.56 g/mol, XLogP of 3.11, 7 rotatable bonds, 3 hydrogen bond donors, and 9 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-(2-ethylimidazol-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 144688467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).