N-(1,3-benzothiazol-2-ylmethyl)-6-[[(2R)-2-ethylpiperidin-1-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide

C22H26N4O2S — CID 42369162

IUPACN-(1,3-benzothiazol-2-ylmethyl)-6-[[(2R)-2-ethylpiperidin-1-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCC[C@@H]1CCCCN1Cc1ccc(C(=O)NCc2nc3ccccc3s2)c(=O)[nH]1
InChIInChI=1S/C22H26N4O2S/c1-2-16-7-5-6-12-26(16)14-15-10-11-17(22(28)24-15)21(27)23-13-20-25-18-8-3-4-9-19(18)29-20/h3-4,8-11,16H,2,5-7,12-14H2,1H3,(H,23,27)(H,24,28)/t16-/m1/s1
InChIKeyDJCLUIPQOMNOFA-MRXNPFEDSA-N
MW410.54 g/mol
LogP3.68
Rot. Bonds6

About N-(1,3-benzothiazol-2-ylmethyl)-6-[[(2R)-2-ethylpiperidin-1-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide

N-(1,3-benzothiazol-2-ylmethyl)-6-[[(2R)-2-ethylpiperidin-1-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 42369162) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-6-[[(2R)-2-ethylpiperidin-1-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-6-[[(2R)-2-ethylpiperidin-1-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID42369162
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-6-[[(2R)-2-ethylpiperidin-1-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCC[C@@H]1CCCCN1Cc1ccc(C(=O)NCc2nc3ccccc3s2)c(=O)[nH]1
InChIInChI=1S/C22H26N4O2S/c1-2-16-7-5-6-12-26(16)14-15-10-11-17(22(28)24-15)21(27)23-13-20-25-18-8-3-4-9-19(18)29-20/h3-4,8-11,16H,2,5-7,12-14H2,1H3,(H,23,27)(H,24,28)/t16-/m1/s1
InChIKeyDJCLUIPQOMNOFA-MRXNPFEDSA-N
XLogP3.68
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzothiazol-2-ylmethyl)-6-[[(2R)-2-ethylpiperidin-1-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-6-[[(2S)-2-ethylpiperidin-1-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 42369168
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 78815665
6-[[(2R)-2-carbamoylpyrrolidin-1-yl]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide
CID 70754265
N-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 26323256
2-[[2-(chloromethyl)piperidin-1-yl]methyl]-1,3-benzothiazole
CID 104631990
N-(1,3-benzothiazol-2-ylmethyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 84597428
N-(1,3-benzothiazol-2-ylmethyl)cyclopropanecarboxamide
CID 18110639
N-(1,3-benzothiazol-2-ylmethyl)-5-methylthiophene-2-carboxamide
CID 18110635
6-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-2-oxo-N-[(4-sulfamoylphenyl)methyl]-1H-pyridine-3-carboxamide
CID 70725148
1-[1-(1,3-benzothiazol-2-ylmethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758778
N-(1,3-benzothiazol-2-ylmethyl)-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 112765302
(2R)-N-(1,3-benzothiazol-2-ylmethyl)piperidine-2-carboxamide
CID 103808102

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-6-[[(2R)-2-ethylpiperidin-1-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-6-[[(2R)-2-ethylpiperidin-1-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 42369162) is N-(1,3-benzothiazol-2-ylmethyl)-6-[[(2R)-2-ethylpiperidin-1-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-6-[[(2R)-2-ethylpiperidin-1-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-6-[[(2R)-2-ethylpiperidin-1-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide is CC[C@@H]1CCCCN1Cc1ccc(C(=O)NCc2nc3ccccc3s2)c(=O)[nH]1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-6-[[(2R)-2-ethylpiperidin-1-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is DJCLUIPQOMNOFA-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-2-16-7-5-6-12-26(16)14-15-10-11-17(22(28)24-15)21(27)23-13-20-25-18-8-3-4-9-19(18)29-20/h3-4,8-11,16H,2,5-7,12-14H2,1H3,(H,23,27)(H,24,28)/t16-/m1/s1.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-6-[[(2R)-2-ethylpiperidin-1-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
N-(1,3-benzothiazol-2-ylmethyl)-6-[[(2R)-2-ethylpiperidin-1-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 410.54 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-6-[[(2R)-2-ethylpiperidin-1-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 42369162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).