3-(3-hydroxyprop-1-ynyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide

C13H11N3O3S — CID 106383172

IUPAC3-(3-hydroxyprop-1-ynyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
SMILESO=C(NCc1csc(=O)[nH]1)c1ncccc1C#CCO
InChIInChI=1S/C13H11N3O3S/c17-6-2-4-9-3-1-5-14-11(9)12(18)15-7-10-8-20-13(19)16-10/h1,3,5,8,17H,6-7H2,(H,15,18)(H,16,19)
InChIKeyGGNMGVHQXVECCY-UHFFFAOYSA-N
MW289.32 g/mol
LogP0.11
Rot. Bonds3

About 3-(3-hydroxyprop-1-ynyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide

3-(3-hydroxyprop-1-ynyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide (PubChem CID 106383172) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is 3-(3-hydroxyprop-1-ynyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(3-hydroxyprop-1-ynyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
PubChem CID106383172
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC Name3-(3-hydroxyprop-1-ynyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
SMILESO=C(NCc1csc(=O)[nH]1)c1ncccc1C#CCO
InChIInChI=1S/C13H11N3O3S/c17-6-2-4-9-3-1-5-14-11(9)12(18)15-7-10-8-20-13(19)16-10/h1,3,5,8,17H,6-7H2,(H,15,18)(H,16,19)
InChIKeyGGNMGVHQXVECCY-UHFFFAOYSA-N
XLogP0.11
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-5-ylmethyl)pyridine-2-carboxamide
CID 107522748
2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 107358887
3-(3-hydroxyprop-1-ynyl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 107521456
3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pyridine-2-carboxylic acid
CID 106382731
N-(4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 107520897
3-(3-hydroxyprop-1-ynyl)-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 107523091
3-(3-hydroxyprop-1-ynyl)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 107520997
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide
CID 106383409
3-(3-aminoprop-1-ynyl)-N-benzylpyridine-2-carboxamide
CID 107523440
3-(3-hydroxyprop-1-ynyl)-N-pyrimidin-5-ylpyridine-2-carboxamide
CID 107589634
3-(3-hydroxyprop-1-ynyl)-N-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 107520524
3-(3-hydroxyprop-1-ynyl)-N-(1,2,4-triazin-3-yl)pyridine-2-carboxamide
CID 107523295

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide (CID 106383172) is 3-(3-hydroxyprop-1-ynyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-(3-hydroxyprop-1-ynyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 3-(3-hydroxyprop-1-ynyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide is O=C(NCc1csc(=O)[nH]1)c1ncccc1C#CCO.
What is the InChIKey of 3-(3-hydroxyprop-1-ynyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide?
The InChIKey is GGNMGVHQXVECCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S/c17-6-2-4-9-3-1-5-14-11(9)12(18)15-7-10-8-20-13(19)16-10/h1,3,5,8,17H,6-7H2,(H,15,18)(H,16,19).
What are the key properties of 3-(3-hydroxyprop-1-ynyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide?
3-(3-hydroxyprop-1-ynyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide has a molecular weight of 289.32 g/mol, XLogP of 0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyprop-1-ynyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 106383172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).