N-[2-(4-hydroxyphenyl)ethyl]-5-thiophen-2-ylpyridine-3-carboxamide

C18H16N2O2S — CID 117088374

IUPACN-[2-(4-hydroxyphenyl)ethyl]-5-thiophen-2-ylpyridine-3-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1cncc(-c2cccs2)c1
InChIInChI=1S/C18H16N2O2S/c21-16-5-3-13(4-6-16)7-8-20-18(22)15-10-14(11-19-12-15)17-2-1-9-23-17/h1-6,9-12,21H,7-8H2,(H,20,22)
InChIKeyBILBQWSUHDJVSW-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.49
Rot. Bonds5

About N-[2-(4-hydroxyphenyl)ethyl]-5-thiophen-2-ylpyridine-3-carboxamide

N-[2-(4-hydroxyphenyl)ethyl]-5-thiophen-2-ylpyridine-3-carboxamide (PubChem CID 117088374) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-5-thiophen-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-5-thiophen-2-ylpyridine-3-carboxamide
PubChem CID117088374
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-5-thiophen-2-ylpyridine-3-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1cncc(-c2cccs2)c1
InChIInChI=1S/C18H16N2O2S/c21-16-5-3-13(4-6-16)7-8-20-18(22)15-10-14(11-19-12-15)17-2-1-9-23-17/h1-6,9-12,21H,7-8H2,(H,20,22)
InChIKeyBILBQWSUHDJVSW-UHFFFAOYSA-N
XLogP3.49
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-5-thiophen-2-ylpyridine-3-carboxamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-5-thiophen-2-ylpyridine-3-carboxamide (CID 117088374) is N-[2-(4-hydroxyphenyl)ethyl]-5-thiophen-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-5-thiophen-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-5-thiophen-2-ylpyridine-3-carboxamide is O=C(NCCc1ccc(O)cc1)c1cncc(-c2cccs2)c1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-5-thiophen-2-ylpyridine-3-carboxamide?
The InChIKey is BILBQWSUHDJVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c21-16-5-3-13(4-6-16)7-8-20-18(22)15-10-14(11-19-12-15)17-2-1-9-23-17/h1-6,9-12,21H,7-8H2,(H,20,22).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-5-thiophen-2-ylpyridine-3-carboxamide?
N-[2-(4-hydroxyphenyl)ethyl]-5-thiophen-2-ylpyridine-3-carboxamide has a molecular weight of 324.41 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-5-thiophen-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 117088374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).