(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxymethyl]-N-(pyridin-4-ylmethyl)piperidine-1-carboxamide

C20H24N6O4S — CID 73213807

IUPAC(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxymethyl]-N-(pyridin-4-ylmethyl)piperidine-1-carboxamide
SMILESNC1=NS(=O)(=O)Nc2cccc(OC[C@H]3CCCCN3C(=O)NCc3ccncc3)c21
InChIInChI=1S/C20H24N6O4S/c21-19-18-16(24-31(28,29)25-19)5-3-6-17(18)30-13-15-4-1-2-11-26(15)20(27)23-12-14-7-9-22-10-8-14/h3,5-10,15,24H,1-2,4,11-13H2,(H2,21,25)(H,23,27)/t15-/m1/s1
InChIKeyIDWBDEUDXRIFTG-OAHLLOKOSA-N
MW444.52 g/mol
LogP1.60
Rot. Bonds5

About (2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxymethyl]-N-(pyridin-4-ylmethyl)piperidine-1-carboxamide

(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxymethyl]-N-(pyridin-4-ylmethyl)piperidine-1-carboxamide (PubChem CID 73213807) has the molecular formula C20H24N6O4S and a molecular weight of 444.52 g/mol. Its IUPAC name is (2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxymethyl]-N-(pyridin-4-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxymethyl]-N-(pyridin-4-ylmethyl)piperidine-1-carboxamide
PubChem CID73213807
Molecular FormulaC20H24N6O4S
Molecular Weight444.52 g/mol
Exact Mass444.16
IUPAC Name(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxymethyl]-N-(pyridin-4-ylmethyl)piperidine-1-carboxamide
SMILESNC1=NS(=O)(=O)Nc2cccc(OC[C@H]3CCCCN3C(=O)NCc3ccncc3)c21
InChIInChI=1S/C20H24N6O4S/c21-19-18-16(24-31(28,29)25-19)5-3-6-17(18)30-13-15-4-1-2-11-26(15)20(27)23-12-14-7-9-22-10-8-14/h3,5-10,15,24H,1-2,4,11-13H2,(H2,21,25)(H,23,27)/t15-/m1/s1
InChIKeyIDWBDEUDXRIFTG-OAHLLOKOSA-N
XLogP1.60
TPSA139.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxymethyl]-N-(pyridin-4-ylmethyl)piperidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxymethyl]-N-(pyridin-4-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of (2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxymethyl]-N-(pyridin-4-ylmethyl)piperidine-1-carboxamide (CID 73213807) is (2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxymethyl]-N-(pyridin-4-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for (2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxymethyl]-N-(pyridin-4-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for (2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxymethyl]-N-(pyridin-4-ylmethyl)piperidine-1-carboxamide is NC1=NS(=O)(=O)Nc2cccc(OC[C@H]3CCCCN3C(=O)NCc3ccncc3)c21.
What is the InChIKey of (2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxymethyl]-N-(pyridin-4-ylmethyl)piperidine-1-carboxamide?
The InChIKey is IDWBDEUDXRIFTG-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24N6O4S/c21-19-18-16(24-31(28,29)25-19)5-3-6-17(18)30-13-15-4-1-2-11-26(15)20(27)23-12-14-7-9-22-10-8-14/h3,5-10,15,24H,1-2,4,11-13H2,(H2,21,25)(H,23,27)/t15-/m1/s1.
What are the key properties of (2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxymethyl]-N-(pyridin-4-ylmethyl)piperidine-1-carboxamide?
(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxymethyl]-N-(pyridin-4-ylmethyl)piperidine-1-carboxamide has a molecular weight of 444.52 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxymethyl]-N-(pyridin-4-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 73213807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).