N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide

C12H12N2O2S — CID 103686115

IUPACN-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide
SMILESO=C(NCC(O)c1ccsc1)c1ccncc1
InChIInChI=1S/C12H12N2O2S/c15-11(10-3-6-17-8-10)7-14-12(16)9-1-4-13-5-2-9/h1-6,8,11,15H,7H2,(H,14,16)
InChIKeyABRQMDJUSBWXIY-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.61
Rot. Bonds4

About N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide

N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide (PubChem CID 103686115) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide
PubChem CID103686115
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide
SMILESO=C(NCC(O)c1ccsc1)c1ccncc1
InChIInChI=1S/C12H12N2O2S/c15-11(10-3-6-17-8-10)7-14-12(16)9-1-4-13-5-2-9/h1-6,8,11,15H,7H2,(H,14,16)
InChIKeyABRQMDJUSBWXIY-UHFFFAOYSA-N
XLogP1.61
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 90496459
3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide
CID 103715894
N-(2-hydroxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzamide
CID 90496462
N-(2-hydroxy-2-thiophen-3-ylethyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 52992616
2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-carboxamide
CID 103771739
N-(2-hydroxy-2-thiophen-3-ylethyl)-4-(trifluoromethoxy)benzamide
CID 111441258
N-(2-hydroxy-2-thiophen-3-ylethyl)-6-oxopyran-3-carboxamide
CID 106436177
3-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide
CID 111578613
N-(2-hydroxy-2-thiophen-3-ylethyl)-3,5-dimethoxybenzamide
CID 90496493
4-(dimethylsulfamoyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 90496546
N-(2-hydroxy-2-thiophen-3-ylethyl)quinoline-6-carboxamide
CID 103686077
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 47178909

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide (CID 103686115) is N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide is O=C(NCC(O)c1ccsc1)c1ccncc1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide?
The InChIKey is ABRQMDJUSBWXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c15-11(10-3-6-17-8-10)7-14-12(16)9-1-4-13-5-2-9/h1-6,8,11,15H,7H2,(H,14,16).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide?
N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide has a molecular weight of 248.31 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 103686115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).