N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-6-piperidin-1-yl-1,2-dihydropyridine-4-carboxamide

C22H30N6O4S — CID 174193406

IUPACN-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-6-piperidin-1-yl-1,2-dihydropyridine-4-carboxamide
SMILESCC(C)(COc1cccc2c1C(N)=NS(=O)(=O)N2)NC(=O)C1=CCNC(N2CCCCC2)=C1
InChIInChI=1S/C22H30N6O4S/c1-22(2,14-32-17-8-6-7-16-19(17)20(23)27-33(30,31)26-16)25-21(29)15-9-10-24-18(13-15)28-11-4-3-5-12-28/h6-9,13,24,26H,3-5,10-12,14H2,1-2H3,(H2,23,27)(H,25,29)
InChIKeyURYNTAXDSIPZTE-UHFFFAOYSA-N
MW474.59 g/mol
LogP1.19
Rot. Bonds6

About N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-6-piperidin-1-yl-1,2-dihydropyridine-4-carboxamide

N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-6-piperidin-1-yl-1,2-dihydropyridine-4-carboxamide (PubChem CID 174193406) has the molecular formula C22H30N6O4S and a molecular weight of 474.59 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]-6-piperidin-1-yl-1,2-dihydropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-6-piperidin-1-yl-1,2-dihydropyridine-4-carboxamide
PubChem CID174193406
Molecular FormulaC22H30N6O4S
Molecular Weight474.59 g/mol
Exact Mass474.20
IUPAC NameN-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-6-piperidin-1-yl-1,2-dihydropyridine-4-carboxamide
SMILESCC(C)(COc1cccc2c1C(N)=NS(=O)(=O)N2)NC(=O)C1=CCNC(N2CCCCC2)=C1
InChIInChI=1S/C22H30N6O4S/c1-22(2,14-32-17-8-6-7-16-19(17)20(23)27-33(30,31)26-16)25-21(29)15-9-10-24-18(13-15)28-11-4-3-5-12-28/h6-9,13,24,26H,3-5,10-12,14H2,1-2H3,(H2,23,27)(H,25,29)
InChIKeyURYNTAXDSIPZTE-UHFFFAOYSA-N
XLogP1.19
TPSA138.15 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 51.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-6-piperidin-1-yl-1,2-dihydropyridine-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]-6-piperidin-1-yl-1,2-dihydropyridine-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]-6-piperidin-1-yl-1,2-dihydropyridine-4-carboxamide (CID 174193406) is N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-6-piperidin-1-yl-1,2-dihydropyridine-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]-6-piperidin-1-yl-1,2-dihydropyridine-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]-6-piperidin-1-yl-1,2-dihydropyridine-4-carboxamide is CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)N2)NC(=O)C1=CCNC(N2CCCCC2)=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]-6-piperidin-1-yl-1,2-dihydropyridine-4-carboxamide?
The InChIKey is URYNTAXDSIPZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O4S/c1-22(2,14-32-17-8-6-7-16-19(17)20(23)27-33(30,31)26-16)25-21(29)15-9-10-24-18(13-15)28-11-4-3-5-12-28/h6-9,13,24,26H,3-5,10-12,14H2,1-2H3,(H2,23,27)(H,25,29).
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]-6-piperidin-1-yl-1,2-dihydropyridine-4-carboxamide?
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-6-piperidin-1-yl-1,2-dihydropyridine-4-carboxamide has a molecular weight of 474.59 g/mol, XLogP of 1.19, 6 rotatable bonds, 4 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]-6-piperidin-1-yl-1,2-dihydropyridine-4-carboxamide is sourced from PubChem (CID 174193406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).