6-[3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide

C23H31N7O3S — CID 153402003

IUPAC6-[3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1cccc(N2CCCC(COc3cccc4c3C(N)=NS(=O)N4)C2)n1
InChIInChI=1S/C23H31N7O3S/c1-29(2)13-11-25-23(31)18-8-4-10-20(26-18)30-12-5-6-16(14-30)15-33-19-9-3-7-17-21(19)22(24)28-34(32)27-17/h3-4,7-10,16,27H,5-6,11-15H2,1-2H3,(H2,24,28)(H,25,31)
InChIKeyVIWVKZLZRHRUJO-UHFFFAOYSA-N
MW485.61 g/mol
LogP1.38
Rot. Bonds8

About 6-[3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide

6-[3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide (PubChem CID 153402003) has the molecular formula C23H31N7O3S and a molecular weight of 485.61 g/mol. Its IUPAC name is 6-[3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
PubChem CID153402003
Molecular FormulaC23H31N7O3S
Molecular Weight485.61 g/mol
Exact Mass485.22
IUPAC Name6-[3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1cccc(N2CCCC(COc3cccc4c3C(N)=NS(=O)N4)C2)n1
InChIInChI=1S/C23H31N7O3S/c1-29(2)13-11-25-23(31)18-8-4-10-20(26-18)30-12-5-6-16(14-30)15-33-19-9-3-7-17-21(19)22(24)28-34(32)27-17/h3-4,7-10,16,27H,5-6,11-15H2,1-2H3,(H2,24,28)(H,25,31)
InChIKeyVIWVKZLZRHRUJO-UHFFFAOYSA-N
XLogP1.38
TPSA125.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-[3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide with MolForge

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Related Compounds

2-[3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-N-cyclopropylpyridine-4-carboxamide
CID 153402023
6-[3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]pyridine-3-carbaldehyde;N-methylcyclopentanamine
CID 153401999
1-[3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 154935387
3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidine-1-carbaldehyde
CID 144570300
N-cyclopropylformamide;5-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine
CID 153402004
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-[3-(dimethylamino)propyl]-6-piperidin-1-ylpyridine-2-carboxamide
CID 84573694
6-(azepan-1-yl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 84573830
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-[4-[2-(dimethylamino)ethylcarbamoyl]piperidin-1-yl]-N-(2-phenoxyethyl)pyridine-2-carboxamide
CID 101365996
6-[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-N-ethylpyridine-3-carboxamide
CID 146366295
N-[2-(dimethylamino)ethyl]-6-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109096331

Frequently Asked Questions

What is the IUPAC name of 6-[3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide?
The IUPAC name of 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) is 6-[3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide is CN(C)CCNC(=O)c1cccc(N2CCCC(COc3cccc4c3C(N)=NS(=O)N4)C2)n1.
What is the InChIKey of 6-[3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide?
The InChIKey is VIWVKZLZRHRUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O3S/c1-29(2)13-11-25-23(31)18-8-4-10-20(26-18)30-12-5-6-16(14-30)15-33-19-9-3-7-17-21(19)22(24)28-34(32)27-17/h3-4,7-10,16,27H,5-6,11-15H2,1-2H3,(H2,24,28)(H,25,31).
What are the key properties of 6-[3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide?
6-[3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide has a molecular weight of 485.61 g/mol, XLogP of 1.38, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 153402003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).