3-hydroxy-N-[(4-methylthiophen-3-yl)methyl]pyridine-4-carboxamide

C12H12N2O2S — CID 81443108

IUPAC3-hydroxy-N-[(4-methylthiophen-3-yl)methyl]pyridine-4-carboxamide
SMILESCc1cscc1CNC(=O)c1ccncc1O
InChIInChI=1S/C12H12N2O2S/c1-8-6-17-7-9(8)4-14-12(16)10-2-3-13-5-11(10)15/h2-3,5-7,15H,4H2,1H3,(H,14,16)
InChIKeyHWKYSNHAZVKPRJ-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.09
Rot. Bonds3

About 3-hydroxy-N-[(4-methylthiophen-3-yl)methyl]pyridine-4-carboxamide

3-hydroxy-N-[(4-methylthiophen-3-yl)methyl]pyridine-4-carboxamide (PubChem CID 81443108) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 3-hydroxy-N-[(4-methylthiophen-3-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(4-methylthiophen-3-yl)methyl]pyridine-4-carboxamide
PubChem CID81443108
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name3-hydroxy-N-[(4-methylthiophen-3-yl)methyl]pyridine-4-carboxamide
SMILESCc1cscc1CNC(=O)c1ccncc1O
InChIInChI=1S/C12H12N2O2S/c1-8-6-17-7-9(8)4-14-12(16)10-2-3-13-5-11(10)15/h2-3,5-7,15H,4H2,1H3,(H,14,16)
InChIKeyHWKYSNHAZVKPRJ-UHFFFAOYSA-N
XLogP2.09
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(4-methylthiophen-3-yl)methyl]pyridine-3-carboxamide
CID 81233279
2,4-dihydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 104957549
2-[2-[[(3-hydroxypyridine-4-carbonyl)amino]methyl]phenyl]acetic acid
CID 81439005
5-fluoro-2-hydroxy-N-[(4-methylthiophen-3-yl)methyl]benzamide
CID 115299175
N-[(5-ethylthiophen-2-yl)methyl]-3-hydroxypyridine-4-carboxamide
CID 113252821
3-hydroxy-2-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700649
3-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 113341020
4-fluoro-2-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 104957562
tris(3-hydroxy-N-methylpyridine-4-carboxamide);iron
CID 163419095
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-hydroxypyridine-4-carboxamide
CID 112550399
2-hydroxy-3-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700654
3-hydroxy-N-[(1-methylpyrrol-3-yl)methyl]pyridine-4-carboxamide
CID 113257065

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(4-methylthiophen-3-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 3-hydroxy-N-[(4-methylthiophen-3-yl)methyl]pyridine-4-carboxamide (CID 81443108) is 3-hydroxy-N-[(4-methylthiophen-3-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(4-methylthiophen-3-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(4-methylthiophen-3-yl)methyl]pyridine-4-carboxamide is Cc1cscc1CNC(=O)c1ccncc1O.
What is the InChIKey of 3-hydroxy-N-[(4-methylthiophen-3-yl)methyl]pyridine-4-carboxamide?
The InChIKey is HWKYSNHAZVKPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-8-6-17-7-9(8)4-14-12(16)10-2-3-13-5-11(10)15/h2-3,5-7,15H,4H2,1H3,(H,14,16).
What are the key properties of 3-hydroxy-N-[(4-methylthiophen-3-yl)methyl]pyridine-4-carboxamide?
3-hydroxy-N-[(4-methylthiophen-3-yl)methyl]pyridine-4-carboxamide has a molecular weight of 248.31 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(4-methylthiophen-3-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 81443108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).