N-[1-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-yl-6-methoxypyridine-4-carboxamide

C21H23N7O4S — CID 144688401

About N-[1-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-yl-6-methoxypyridine-4-carboxamide

N-[1-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-yl-6-methoxypyridine-4-carboxamide (PubChem CID 144688401) has the molecular formula C21H23N7O4S and a molecular weight of 469.53 g/mol. Its IUPAC name is N-[1-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-yl-6-methoxypyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-yl-6-methoxypyridine-4-carboxamide
• PubChem CID: 144688401
• Molecular Formula: C21H23N7O4S
• Molecular Weight: 469.53 g/mol
• Exact Mass: 469.15
• IUPAC Name: N-[1-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-yl-6-methoxypyridine-4-carboxamide
• SMILES: COc1cc(C(=O)NC(C)(C)COc2cccc3c2C(N)=NS(=O)N3)cc(-n2ccnc2)n1
• InChI: InChI=1S/C21H23N7O4S/c1-21(2,11-32-15-6-4-5-14-18(15)19(22)27-33(30)26-14)25-20(29)13-9-16(24-17(10-13)31-3)28-8-7-23-12-28/h4-10,12,26H,11H2,1-3H3,(H2,22,27)(H,25,29)
• InChIKey: KPGVRFBGJAGVPY-UHFFFAOYSA-N
• XLogP: 1.57
• TPSA: 145.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.53
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-yl-6-methoxypyridine-4-carboxamide?

The IUPAC name of N-[1-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-yl-6-methoxypyridine-4-carboxamide (CID 144688401) is N-[1-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-yl-6-methoxypyridine-4-carboxamide.

What is the SMILES notation for N-[1-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-yl-6-methoxypyridine-4-carboxamide?

The canonical SMILES for N-[1-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-yl-6-methoxypyridine-4-carboxamide is COc1cc(C(=O)NC(C)(C)COc2cccc3c2C(N)=NS(=O)N3)cc(-n2ccnc2)n1.

What is the InChIKey of N-[1-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-yl-6-methoxypyridine-4-carboxamide?

The InChIKey is KPGVRFBGJAGVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O4S/c1-21(2,11-32-15-6-4-5-14-18(15)19(22)27-33(30)26-14)25-20(29)13-9-16(24-17(10-13)31-3)28-8-7-23-12-28/h4-10,12,26H,11H2,1-3H3,(H2,22,27)(H,25,29).

What are the key properties of N-[1-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-yl-6-methoxypyridine-4-carboxamide?

N-[1-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-yl-6-methoxypyridine-4-carboxamide has a molecular weight of 469.53 g/mol, XLogP of 1.57, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-yl-6-methoxypyridine-4-carboxamide is sourced from PubChem (CID 144688401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).