N-[(5-ethylthiophen-2-yl)methyl]-3-hydroxypyridine-4-carboxamide

C13H14N2O2S — CID 113252821

IUPACN-[(5-ethylthiophen-2-yl)methyl]-3-hydroxypyridine-4-carboxamide
SMILESCCc1ccc(CNC(=O)c2ccncc2O)s1
InChIInChI=1S/C13H14N2O2S/c1-2-9-3-4-10(18-9)7-15-13(17)11-5-6-14-8-12(11)16/h3-6,8,16H,2,7H2,1H3,(H,15,17)
InChIKeyUERZFVFNURMDRD-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.34
Rot. Bonds4

About N-[(5-ethylthiophen-2-yl)methyl]-3-hydroxypyridine-4-carboxamide

N-[(5-ethylthiophen-2-yl)methyl]-3-hydroxypyridine-4-carboxamide (PubChem CID 113252821) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-3-hydroxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-3-hydroxypyridine-4-carboxamide
PubChem CID113252821
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-3-hydroxypyridine-4-carboxamide
SMILESCCc1ccc(CNC(=O)c2ccncc2O)s1
InChIInChI=1S/C13H14N2O2S/c1-2-9-3-4-10(18-9)7-15-13(17)11-5-6-14-8-12(11)16/h3-6,8,16H,2,7H2,1H3,(H,15,17)
InChIKeyUERZFVFNURMDRD-UHFFFAOYSA-N
XLogP2.34
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-ethylthiophen-2-yl)methyl]-3-hydrazinylpyridine-4-carboxamide
CID 106012825
3-(3-aminoprop-1-ynyl)-N-[(5-ethylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 106014577
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypyridine-4-carboxamide
CID 106372873
N-[(5-ethylthiophen-2-yl)methyl]-2,6-dihydroxybenzamide
CID 103749033
2-bromo-N-[(5-ethylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 113255164
3-hydroxy-N-[(4-methylthiophen-3-yl)methyl]pyridine-4-carboxamide
CID 81443108
3-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 113341020
tris(3-hydroxy-N-methylpyridine-4-carboxamide);iron
CID 163419095
N-[(5-bromothiophen-2-yl)methyl]-3-(ethylamino)pyridine-4-carboxamide
CID 105070295
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-hydroxypyridine-4-carboxamide
CID 112550399
2-[2-[[(3-hydroxypyridine-4-carbonyl)amino]methyl]phenyl]acetic acid
CID 81439005
3-hydroxy-N-[(1-methylpyrrol-3-yl)methyl]pyridine-4-carboxamide
CID 113257065

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-3-hydroxypyridine-4-carboxamide?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-3-hydroxypyridine-4-carboxamide (CID 113252821) is N-[(5-ethylthiophen-2-yl)methyl]-3-hydroxypyridine-4-carboxamide.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-3-hydroxypyridine-4-carboxamide?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-3-hydroxypyridine-4-carboxamide is CCc1ccc(CNC(=O)c2ccncc2O)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-3-hydroxypyridine-4-carboxamide?
The InChIKey is UERZFVFNURMDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-2-9-3-4-10(18-9)7-15-13(17)11-5-6-14-8-12(11)16/h3-6,8,16H,2,7H2,1H3,(H,15,17).
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-3-hydroxypyridine-4-carboxamide?
N-[(5-ethylthiophen-2-yl)methyl]-3-hydroxypyridine-4-carboxamide has a molecular weight of 262.33 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-3-hydroxypyridine-4-carboxamide is sourced from PubChem (CID 113252821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).