2-[3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-N-cyclopropylpyridine-4-carboxamide

C22H26N6O3S — CID 153402023

IUPAC2-[3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-N-cyclopropylpyridine-4-carboxamide
SMILESNC1=NS(=O)Nc2cccc(OCC3CCCN(c4cc(C(=O)NC5CC5)ccn4)C3)c21
InChIInChI=1S/C22H26N6O3S/c23-21-20-17(26-32(30)27-21)4-1-5-18(20)31-13-14-3-2-10-28(12-14)19-11-15(8-9-24-19)22(29)25-16-6-7-16/h1,4-5,8-9,11,14,16,26H,2-3,6-7,10,12-13H2,(H2,23,27)(H,25,29)
InChIKeyHLGVIIOLMPTAPJ-UHFFFAOYSA-N
MW454.56 g/mol
LogP1.98
Rot. Bonds6

About 2-[3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-N-cyclopropylpyridine-4-carboxamide

2-[3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-N-cyclopropylpyridine-4-carboxamide (PubChem CID 153402023) has the molecular formula C22H26N6O3S and a molecular weight of 454.56 g/mol. Its IUPAC name is 2-[3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-N-cyclopropylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-N-cyclopropylpyridine-4-carboxamide
PubChem CID153402023
Molecular FormulaC22H26N6O3S
Molecular Weight454.56 g/mol
Exact Mass454.18
IUPAC Name2-[3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-N-cyclopropylpyridine-4-carboxamide
SMILESNC1=NS(=O)Nc2cccc(OCC3CCCN(c4cc(C(=O)NC5CC5)ccn4)C3)c21
InChIInChI=1S/C22H26N6O3S/c23-21-20-17(26-32(30)27-21)4-1-5-18(20)31-13-14-3-2-10-28(12-14)19-11-15(8-9-24-19)22(29)25-16-6-7-16/h1,4-5,8-9,11,14,16,26H,2-3,6-7,10,12-13H2,(H2,23,27)(H,25,29)
InChIKeyHLGVIIOLMPTAPJ-UHFFFAOYSA-N
XLogP1.98
TPSA121.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.56
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-N-cyclopropylpyridine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-N-cyclopropylpyridine-4-carboxamide
CID 146366466
6-[3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 153402003
N-cyclopropylformamide;5-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine
CID 153402004
6-[3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]pyridine-3-carbaldehyde;N-methylcyclopentanamine
CID 153401999
3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidine-1-carbaldehyde
CID 144570300
3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]-N-pyridin-4-ylpiperidine-1-carboxamide
CID 144570290
2-[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-N-methylpyridine-4-carboxamide
CID 159477761
1-[3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 154935387
N-ethyl-2-[(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]pyridine-4-carboxamide
CID 97269555
1-[3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-2-(4-methoxyphenyl)-2-methylpropan-1-one
CID 144570326
N-[1-[(4-amino-2-oxo-1H-2λ4,1-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 144688388
N-cyclopentyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridine-4-carboxamide
CID 109166043

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-N-cyclopropylpyridine-4-carboxamide?
The IUPAC name of 2-[3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-N-cyclopropylpyridine-4-carboxamide (CID 153402023) is 2-[3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-N-cyclopropylpyridine-4-carboxamide.
What is the SMILES notation for 2-[3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-N-cyclopropylpyridine-4-carboxamide?
The canonical SMILES for 2-[3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-N-cyclopropylpyridine-4-carboxamide is NC1=NS(=O)Nc2cccc(OCC3CCCN(c4cc(C(=O)NC5CC5)ccn4)C3)c21.
What is the InChIKey of 2-[3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-N-cyclopropylpyridine-4-carboxamide?
The InChIKey is HLGVIIOLMPTAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3S/c23-21-20-17(26-32(30)27-21)4-1-5-18(20)31-13-14-3-2-10-28(12-14)19-11-15(8-9-24-19)22(29)25-16-6-7-16/h1,4-5,8-9,11,14,16,26H,2-3,6-7,10,12-13H2,(H2,23,27)(H,25,29).
What are the key properties of 2-[3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-N-cyclopropylpyridine-4-carboxamide?
2-[3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-N-cyclopropylpyridine-4-carboxamide has a molecular weight of 454.56 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-N-cyclopropylpyridine-4-carboxamide is sourced from PubChem (CID 153402023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).