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

C11H14N2O2S — CID 115696792

IUPAC3-hydroxy-N-(thian-3-yl)pyridine-4-carboxamide
SMILESO=C(NC1CCCSC1)c1ccncc1O
InChIInChI=1S/C11H14N2O2S/c14-10-6-12-4-3-9(10)11(15)13-8-2-1-5-16-7-8/h3-4,6,8,14H,1-2,5,7H2,(H,13,15)
InChIKeyRRMKAABWUULYSY-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.41
Rot. Bonds2

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

3-hydroxy-N-(thian-3-yl)pyridine-4-carboxamide (PubChem CID 115696792) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-hydroxy-N-(thian-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(thian-3-yl)pyridine-4-carboxamide
PubChem CID115696792
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name3-hydroxy-N-(thian-3-yl)pyridine-4-carboxamide
SMILESO=C(NC1CCCSC1)c1ccncc1O
InChIInChI=1S/C11H14N2O2S/c14-10-6-12-4-3-9(10)11(15)13-8-2-1-5-16-7-8/h3-4,6,8,14H,1-2,5,7H2,(H,13,15)
InChIKeyRRMKAABWUULYSY-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

2,5-dihydroxy-N-(thian-3-yl)benzamide
CID 107723796
3-(methylamino)-N-(thiolan-3-yl)pyridine-4-carboxamide
CID 103064751
3-hydroxy-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide
CID 80706689
N-(3-aminocyclobutyl)-3-hydroxypyridine-4-carboxamide
CID 81442624
N-[2-(cycloheptylamino)ethyl]-3-hydroxypyridine-4-carboxamide
CID 115306432
3-hydroxy-N-(3-methylsulfanylcyclopentyl)pyridine-4-carboxamide
CID 103762366
N-(2,2-dimethylcyclohexyl)-3-hydroxypyridine-4-carboxamide
CID 81443518
6-oxo-2-pyridin-4-yl-N-[(3S)-thiolan-3-yl]-1H-pyrimidine-5-carboxamide
CID 97110681
N-[2-(cyclopropanecarbonylamino)ethyl]-3-hydroxypyridine-4-carboxamide
CID 113257034
N-cyclohexyl-3-fluoropyridine-4-carboxamide
CID 64950507
N-cyclopentyloxy-3-hydroxypyridine-4-carboxamide
CID 83218037
2,3-dihydroxy-N-(thiolan-3-yl)benzamide
CID 103063299

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(thian-3-yl)pyridine-4-carboxamide?
The IUPAC name of 3-hydroxy-N-(thian-3-yl)pyridine-4-carboxamide (CID 115696792) is 3-hydroxy-N-(thian-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(thian-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-hydroxy-N-(thian-3-yl)pyridine-4-carboxamide is O=C(NC1CCCSC1)c1ccncc1O.
What is the InChIKey of 3-hydroxy-N-(thian-3-yl)pyridine-4-carboxamide?
The InChIKey is RRMKAABWUULYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c14-10-6-12-4-3-9(10)11(15)13-8-2-1-5-16-7-8/h3-4,6,8,14H,1-2,5,7H2,(H,13,15).
What are the key properties of 3-hydroxy-N-(thian-3-yl)pyridine-4-carboxamide?
3-hydroxy-N-(thian-3-yl)pyridine-4-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-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 115696792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).