N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(benzimidazol-1-yl)pyridine-4-carboxamide

C24H23N7O4S — CID 85468884

IUPACN-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(benzimidazol-1-yl)pyridine-4-carboxamide
SMILESCC(C)(COc1cccc2c1C(N)=NS(=O)(=O)N2)NC(=O)c1ccnc(-n2cnc3ccccc32)c1
InChIInChI=1S/C24H23N7O4S/c1-24(2,13-35-19-9-5-7-17-21(19)22(25)30-36(33,34)29-17)28-23(32)15-10-11-26-20(12-15)31-14-27-16-6-3-4-8-18(16)31/h3-12,14,29H,13H2,1-2H3,(H2,25,30)(H,28,32)
InChIKeyOBAPHXFBOUEOQZ-UHFFFAOYSA-N
MW505.56 g/mol
LogP2.38
Rot. Bonds6

About N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(benzimidazol-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-(benzimidazol-1-yl)pyridine-4-carboxamide (PubChem CID 85468884) has the molecular formula C24H23N7O4S and a molecular weight of 505.56 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-(benzimidazol-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(benzimidazol-1-yl)pyridine-4-carboxamide
PubChem CID85468884
Molecular FormulaC24H23N7O4S
Molecular Weight505.56 g/mol
Exact Mass505.15
IUPAC NameN-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(benzimidazol-1-yl)pyridine-4-carboxamide
SMILESCC(C)(COc1cccc2c1C(N)=NS(=O)(=O)N2)NC(=O)c1ccnc(-n2cnc3ccccc32)c1
InChIInChI=1S/C24H23N7O4S/c1-24(2,13-35-19-9-5-7-17-21(19)22(25)30-36(33,34)29-17)28-23(32)15-10-11-26-20(12-15)31-14-27-16-6-3-4-8-18(16)31/h3-12,14,29H,13H2,1-2H3,(H2,25,30)(H,28,32)
InChIKeyOBAPHXFBOUEOQZ-UHFFFAOYSA-N
XLogP2.38
TPSA153.59 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.56
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(benzimidazol-1-yl)pyridine-4-carboxamide with MolForge

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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-(benzimidazol-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-(benzimidazol-1-yl)pyridine-4-carboxamide (CID 85468884) is N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(benzimidazol-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-(benzimidazol-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-(benzimidazol-1-yl)pyridine-4-carboxamide is CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)N2)NC(=O)c1ccnc(-n2cnc3ccccc32)c1.
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-(benzimidazol-1-yl)pyridine-4-carboxamide?
The InChIKey is OBAPHXFBOUEOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O4S/c1-24(2,13-35-19-9-5-7-17-21(19)22(25)30-36(33,34)29-17)28-23(32)15-10-11-26-20(12-15)31-14-27-16-6-3-4-8-18(16)31/h3-12,14,29H,13H2,1-2H3,(H2,25,30)(H,28,32).
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-(benzimidazol-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-(benzimidazol-1-yl)pyridine-4-carboxamide has a molecular weight of 505.56 g/mol, XLogP of 2.38, 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-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(benzimidazol-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 85468884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).