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

About 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

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 (PubChem CID 174193424) has the molecular formula C23H26N6O4S and a molecular weight of 482.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name	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
PubChem CID	174193424
Molecular Formula	C23H26N6O4S
Molecular Weight	482.57 g/mol
Exact Mass	482.17
IUPAC Name	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
SMILES	Cc1ccc(C)n1-c1cc(C(=O)NC(C)(C)COc2cccc3c2C(N)=NS(=O)(=O)N3)ccn1
InChI	InChI=1S/C23H26N6O4S/c1-14-8-9-15(2)29(14)19-12-16(10-11-25-19)22(30)26-23(3,4)13-33-18-7-5-6-17-20(18)21(24)28-34(31,32)27-17/h5-12,27H,13H2,1-4H3,(H2,24,28)(H,26,30)
InChIKey	SPNYLMGLGRYTIV-UHFFFAOYSA-N
XLogP	2.45
TPSA	140.70 Å²
H-Bond Donors	3
H-Bond Acceptors	7
Rotatable Bonds	6
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.57
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cc1ccc(C)n1-c1cc(C(=O)NC(C)(C)COc2cccc3c2C(N)=NS(=O)(=O)N3)ccn1.

What is the InChIKey of 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?

The InChIKey is SPNYLMGLGRYTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O4S/c1-14-8-9-15(2)29(14)19-12-16(10-11-25-19)22(30)26-23(3,4)13-33-18-7-5-6-17-20(18)21(24)28-34(31,32)27-17/h5-12,27H,13H2,1-4H3,(H2,24,28)(H,26,30).

What are the key properties of 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?

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 has a molecular weight of 482.57 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 174193424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).