N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide

C15H17N3O4S — CID 51896530

IUPACN-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C15H17N3O4S/c19-12-6-5-9(7-16-12)14(21)17-10-3-1-2-4-11(10)18-13(20)8-23-15(18)22/h5-7,10-11H,1-4,8H2,(H,16,19)(H,17,21)/t10-,11+/m1/s1
InChIKeyRZLRHTVXSSKERH-MNOVXSKESA-N
MW335.39 g/mol
LogP1.11
Rot. Bonds3

About N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide

N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 51896530) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID51896530
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC NameN-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C15H17N3O4S/c19-12-6-5-9(7-16-12)14(21)17-10-3-1-2-4-11(10)18-13(20)8-23-15(18)22/h5-7,10-11H,1-4,8H2,(H,16,19)(H,17,21)/t10-,11+/m1/s1
InChIKeyRZLRHTVXSSKERH-MNOVXSKESA-N
XLogP1.11
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-6-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-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-4-methylbenzamide
CID 35569340
methyl 4-[[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]carbamoyl]benzoate
CID 51896508
N-(2-hydroxycycloheptyl)-6-oxo-1H-pyridine-3-carboxamide
CID 113394807
N-[(1S,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-3,5-dimethoxybenzamide
CID 35569327
N-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-4-(imidazol-1-ylmethyl)benzamide
CID 51896556
N-(2-methylcyclopentyl)-6-oxo-1H-pyridine-3-carboxamide
CID 63279324
N-[(1S,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 51896563
N-[(1S,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-phenyltriazole-4-carboxamide
CID 51896525
N-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 51896540
1-benzyl-3-[(1S,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]urea
CID 51896521
N-[(1S,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-oxochromene-3-carboxamide
CID 35569569
4-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60808216

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide (CID 51896530) is N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide is O=C(N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is RZLRHTVXSSKERH-MNOVXSKESA-N. The full InChI is InChI=1S/C15H17N3O4S/c19-12-6-5-9(7-16-12)14(21)17-10-3-1-2-4-11(10)18-13(20)8-23-15(18)22/h5-7,10-11H,1-4,8H2,(H,16,19)(H,17,21)/t10-,11+/m1/s1.
What are the key properties of N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 335.39 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 51896530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).