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

About 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

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 (PubChem CID 144688494) has the molecular formula C22H24N8O3S and a molecular weight of 480.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name	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
PubChem CID	144688494
Molecular Formula	C22H24N8O3S
Molecular Weight	480.55 g/mol
Exact Mass	480.17
IUPAC Name	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
SMILES	CNC(=O)c1cn(-c2cc(C(=O)NC(C)(C)COc3cccc4c3C(N)=NSN4)ccn2)cn1
InChI	InChI=1S/C22H24N8O3S/c1-22(2,11-33-16-6-4-5-14-18(16)19(23)29-34-28-14)27-20(31)13-7-8-25-17(9-13)30-10-15(26-12-30)21(32)24-3/h4-10,12,28H,11H2,1-3H3,(H2,23,29)(H,24,32)(H,27,31)
InChIKey	STJXPASVXOTPOH-UHFFFAOYSA-N
XLogP	1.91
TPSA	148.55 Å²
H-Bond Donors	4
H-Bond Acceptors	10
Rotatable Bonds	7
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.55
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Related Compounds

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-[4-(methylcarbamoyl)imidazol-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-[4-(methylcarbamoyl)imidazol-1-yl]pyridine-4-carboxamide (CID 144688494) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CNC(=O)c1cn(-c2cc(C(=O)NC(C)(C)COc3cccc4c3C(N)=NSN4)ccn2)cn1.

What is the InChIKey of 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?

The InChIKey is STJXPASVXOTPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O3S/c1-22(2,11-33-16-6-4-5-14-18(16)19(23)29-34-28-14)27-20(31)13-7-8-25-17(9-13)30-10-15(26-12-30)21(32)24-3/h4-10,12,28H,11H2,1-3H3,(H2,23,29)(H,24,32)(H,27,31).

What are the key properties of 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?

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 has a molecular weight of 480.55 g/mol, XLogP of 1.91, 7 rotatable bonds, 4 hydrogen bond donors, and 10 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-[4-(methylcarbamoyl)imidazol-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 144688494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).