5-hydroxy-N-(thiolan-3-ylmethyl)pyridine-3-carboxamide

C11H14N2O2S — CID 107296482

IUPAC5-hydroxy-N-(thiolan-3-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCSC1)c1cncc(O)c1
InChIInChI=1S/C11H14N2O2S/c14-10-3-9(5-12-6-10)11(15)13-4-8-1-2-16-7-8/h3,5-6,8,14H,1-2,4,7H2,(H,13,15)
InChIKeyGPEVPWBKXQNAJI-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.27
Rot. Bonds3

About 5-hydroxy-N-(thiolan-3-ylmethyl)pyridine-3-carboxamide

5-hydroxy-N-(thiolan-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 107296482) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 5-hydroxy-N-(thiolan-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-(thiolan-3-ylmethyl)pyridine-3-carboxamide
PubChem CID107296482
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name5-hydroxy-N-(thiolan-3-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCSC1)c1cncc(O)c1
InChIInChI=1S/C11H14N2O2S/c14-10-3-9(5-12-6-10)11(15)13-4-8-1-2-16-7-8/h3,5-6,8,14H,1-2,4,7H2,(H,13,15)
InChIKeyGPEVPWBKXQNAJI-UHFFFAOYSA-N
XLogP1.27
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopentylmethyl)-5-hydroxypyridine-3-carboxamide
CID 63865672
N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-5-hydroxypyridine-3-carboxamide
CID 124553912
4-iodo-N-(thiolan-3-ylmethyl)benzamide
CID 107296392
2-amino-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide
CID 107298151
N-(2-cyclopropyl-2-hydroxyethyl)-5-hydroxypyridine-3-carboxamide
CID 63851883
N-(2-cyclopentylethyl)-5-hydroxypyridine-3-carboxamide
CID 63866200
5-hydroxy-N-(oxan-2-ylmethyl)pyridine-3-carboxamide
CID 63860323
2-oxo-N-(thiolan-3-ylmethyl)-1H-pyridine-4-carboxamide
CID 107342929
N-(2-cyclopropylpropyl)-5-hydroxypyridine-3-carboxamide
CID 115622011
2-amino-6-propan-2-yl-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide
CID 107298213
2-[(5-hydroxypyridine-3-carbonyl)amino]acetic acid
CID 770223
1-methyl-N-(thiolan-3-ylmethyl)pyrazole-3-carboxamide
CID 146126965

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-(thiolan-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-hydroxy-N-(thiolan-3-ylmethyl)pyridine-3-carboxamide (CID 107296482) is 5-hydroxy-N-(thiolan-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-hydroxy-N-(thiolan-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-hydroxy-N-(thiolan-3-ylmethyl)pyridine-3-carboxamide is O=C(NCC1CCSC1)c1cncc(O)c1.
What is the InChIKey of 5-hydroxy-N-(thiolan-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is GPEVPWBKXQNAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c14-10-3-9(5-12-6-10)11(15)13-4-8-1-2-16-7-8/h3,5-6,8,14H,1-2,4,7H2,(H,13,15).
What are the key properties of 5-hydroxy-N-(thiolan-3-ylmethyl)pyridine-3-carboxamide?
5-hydroxy-N-(thiolan-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 238.31 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-(thiolan-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 107296482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).