3-hydroxy-N-(thian-4-yl)pyridine-2-carboxamide

C11H14N2O2S — CID 115603686

IUPAC3-hydroxy-N-(thian-4-yl)pyridine-2-carboxamide
SMILESO=C(NC1CCSCC1)c1ncccc1O
InChIInChI=1S/C11H14N2O2S/c14-9-2-1-5-12-10(9)11(15)13-8-3-6-16-7-4-8/h1-2,5,8,14H,3-4,6-7H2,(H,13,15)
InChIKeyZDJSDVWLVIEUSW-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.41
Rot. Bonds2

About 3-hydroxy-N-(thian-4-yl)pyridine-2-carboxamide

3-hydroxy-N-(thian-4-yl)pyridine-2-carboxamide (PubChem CID 115603686) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-hydroxy-N-(thian-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(thian-4-yl)pyridine-2-carboxamide
PubChem CID115603686
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name3-hydroxy-N-(thian-4-yl)pyridine-2-carboxamide
SMILESO=C(NC1CCSCC1)c1ncccc1O
InChIInChI=1S/C11H14N2O2S/c14-9-2-1-5-12-10(9)11(15)13-8-3-6-16-7-4-8/h1-2,5,8,14H,3-4,6-7H2,(H,13,15)
InChIKeyZDJSDVWLVIEUSW-UHFFFAOYSA-N
XLogP1.41
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 61465245
N-(1-carbamoylazetidin-3-yl)-3-hydroxypyridine-2-carboxamide
CID 167794029
3-hydroxy-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2-carboxamide
CID 103767212
N-cyclopentyl-3-fluoropyridine-2-carboxamide
CID 83407062
3-(3-hydroxyprop-1-ynyl)-N-(thiolan-3-yl)pyridine-2-carboxamide
CID 107523343
N-(2-cyclohexylethyl)-3-hydroxypyridine-2-carboxamide
CID 54861320
3-hydroxypyridine-2-carbohydrazide
CID 45083058
(3-hydroxy-2-pyridinyl)-thiomorpholin-4-ylmethanone
CID 60923480
N-[2-[cyclopropyl(methyl)amino]ethyl]-3-hydroxypyridine-2-carboxamide
CID 55153793
2-[(4-methylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270856
3-amino-N-(1,1-dioxothian-4-yl)pyridine-2-carboxamide
CID 104741112
3-bromo-N-(3-methylcyclopentyl)pyridine-2-carboxamide
CID 107519432

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(thian-4-yl)pyridine-2-carboxamide?
The IUPAC name of 3-hydroxy-N-(thian-4-yl)pyridine-2-carboxamide (CID 115603686) is 3-hydroxy-N-(thian-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(thian-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-(thian-4-yl)pyridine-2-carboxamide is O=C(NC1CCSCC1)c1ncccc1O.
What is the InChIKey of 3-hydroxy-N-(thian-4-yl)pyridine-2-carboxamide?
The InChIKey is ZDJSDVWLVIEUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c14-9-2-1-5-12-10(9)11(15)13-8-3-6-16-7-4-8/h1-2,5,8,14H,3-4,6-7H2,(H,13,15).
What are the key properties of 3-hydroxy-N-(thian-4-yl)pyridine-2-carboxamide?
3-hydroxy-N-(thian-4-yl)pyridine-2-carboxamide has a molecular weight of 238.31 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(thian-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 115603686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).