N-(3-methyl-2-pyridinyl)-1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-3-carboxamide

C18H24N4O3S — CID 55896428

IUPACN-(3-methyl-2-pyridinyl)-1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-3-carboxamide
SMILESCc1cccnc1NC(=O)C1CCCN(C(=O)CCN2CCSC2=O)C1
InChIInChI=1S/C18H24N4O3S/c1-13-4-2-7-19-16(13)20-17(24)14-5-3-8-22(12-14)15(23)6-9-21-10-11-26-18(21)25/h2,4,7,14H,3,5-6,8-12H2,1H3,(H,19,20,24)
InChIKeyXWJRCKCXGWDAOH-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.13
Rot. Bonds5

About N-(3-methyl-2-pyridinyl)-1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-3-carboxamide

N-(3-methyl-2-pyridinyl)-1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-3-carboxamide (PubChem CID 55896428) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-3-carboxamide
PubChem CID55896428
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-(3-methyl-2-pyridinyl)-1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-3-carboxamide
SMILESCc1cccnc1NC(=O)C1CCCN(C(=O)CCN2CCSC2=O)C1
InChIInChI=1S/C18H24N4O3S/c1-13-4-2-7-19-16(13)20-17(24)14-5-3-8-22(12-14)15(23)6-9-21-10-11-26-18(21)25/h2,4,7,14H,3,5-6,8-12H2,1H3,(H,19,20,24)
InChIKeyXWJRCKCXGWDAOH-UHFFFAOYSA-N
XLogP2.13
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55895414
1-[4-(1,3-benzothiazol-2-yl)butanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55895664
1-N-cyclooctyl-3-N-(3-methyl-2-pyridinyl)piperidine-1,3-dicarboxamide
CID 71889679
1-(2-benzhydryloxyacetyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55895787
methyl (3S)-1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-3-carboxylate
CID 78919504
1-[3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55957937
(3S)-N-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 25352704
1-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]-N-phenylpiperidine-3-carboxamide
CID 18110525
(3R)-1-(1-methylindole-3-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 52514561
1-(2-chloropyridine-4-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55895416
N-(3-methyl-2-pyridinyl)-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-3-carboxamide
CID 55896049
1-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55957436

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridinyl)-1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-3-carboxamide?
The IUPAC name of N-(3-methyl-2-pyridinyl)-1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-3-carboxamide (CID 55896428) is N-(3-methyl-2-pyridinyl)-1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-3-carboxamide?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-3-carboxamide is Cc1cccnc1NC(=O)C1CCCN(C(=O)CCN2CCSC2=O)C1.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-3-carboxamide?
The InChIKey is XWJRCKCXGWDAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-13-4-2-7-19-16(13)20-17(24)14-5-3-8-22(12-14)15(23)6-9-21-10-11-26-18(21)25/h2,4,7,14H,3,5-6,8-12H2,1H3,(H,19,20,24).
What are the key properties of N-(3-methyl-2-pyridinyl)-1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-3-carboxamide?
N-(3-methyl-2-pyridinyl)-1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-3-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridinyl)-1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 55896428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).