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

C18H15FN2OS — CID 155536836

IUPACN-[2-(2-fluorophenyl)ethyl]-5-thiophen-3-ylpyridine-2-carboxamide
SMILESO=C(NCCc1ccccc1F)c1ccc(-c2ccsc2)cn1
InChIInChI=1S/C18H15FN2OS/c19-16-4-2-1-3-13(16)7-9-20-18(22)17-6-5-14(11-21-17)15-8-10-23-12-15/h1-6,8,10-12H,7,9H2,(H,20,22)
InChIKeyJESIHYGSRBYUFX-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.92
Rot. Bonds5

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

N-[2-(2-fluorophenyl)ethyl]-5-thiophen-3-ylpyridine-2-carboxamide (PubChem CID 155536836) has the molecular formula C18H15FN2OS and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-5-thiophen-3-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-5-thiophen-3-ylpyridine-2-carboxamide
PubChem CID155536836
Molecular FormulaC18H15FN2OS
Molecular Weight326.40 g/mol
Exact Mass326.09
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-5-thiophen-3-ylpyridine-2-carboxamide
SMILESO=C(NCCc1ccccc1F)c1ccc(-c2ccsc2)cn1
InChIInChI=1S/C18H15FN2OS/c19-16-4-2-1-3-13(16)7-9-20-18(22)17-6-5-14(11-21-17)15-8-10-23-12-15/h1-6,8,10-12H,7,9H2,(H,20,22)
InChIKeyJESIHYGSRBYUFX-UHFFFAOYSA-N
XLogP3.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-5-thiophen-3-ylpyridine-2-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-5-thiophen-3-ylpyridine-2-carboxamide (CID 155536836) is N-[2-(2-fluorophenyl)ethyl]-5-thiophen-3-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-5-thiophen-3-ylpyridine-2-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-5-thiophen-3-ylpyridine-2-carboxamide is O=C(NCCc1ccccc1F)c1ccc(-c2ccsc2)cn1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-5-thiophen-3-ylpyridine-2-carboxamide?
The InChIKey is JESIHYGSRBYUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2OS/c19-16-4-2-1-3-13(16)7-9-20-18(22)17-6-5-14(11-21-17)15-8-10-23-12-15/h1-6,8,10-12H,7,9H2,(H,20,22).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-5-thiophen-3-ylpyridine-2-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-5-thiophen-3-ylpyridine-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-5-thiophen-3-ylpyridine-2-carboxamide is sourced from PubChem (CID 155536836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).