N-(4-fluorophenyl)-6-[2-(furan-2-yl)-2-oxoethyl]sulfanylpyridine-3-carboxamide

C18H13FN2O3S — CID 91937292

IUPACN-(4-fluorophenyl)-6-[2-(furan-2-yl)-2-oxoethyl]sulfanylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(SCC(=O)c2ccco2)nc1
InChIInChI=1S/C18H13FN2O3S/c19-13-4-6-14(7-5-13)21-18(23)12-3-8-17(20-10-12)25-11-15(22)16-2-1-9-24-16/h1-10H,11H2,(H,21,23)
InChIKeyBBICXYFZZZDNIR-UHFFFAOYSA-N
MW356.38 g/mol
LogP4.04
Rot. Bonds6

About N-(4-fluorophenyl)-6-[2-(furan-2-yl)-2-oxoethyl]sulfanylpyridine-3-carboxamide

N-(4-fluorophenyl)-6-[2-(furan-2-yl)-2-oxoethyl]sulfanylpyridine-3-carboxamide (PubChem CID 91937292) has the molecular formula C18H13FN2O3S and a molecular weight of 356.38 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-[2-(furan-2-yl)-2-oxoethyl]sulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-[2-(furan-2-yl)-2-oxoethyl]sulfanylpyridine-3-carboxamide
PubChem CID91937292
Molecular FormulaC18H13FN2O3S
Molecular Weight356.38 g/mol
Exact Mass356.06
IUPAC NameN-(4-fluorophenyl)-6-[2-(furan-2-yl)-2-oxoethyl]sulfanylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(SCC(=O)c2ccco2)nc1
InChIInChI=1S/C18H13FN2O3S/c19-13-4-6-14(7-5-13)21-18(23)12-3-8-17(20-10-12)25-11-15(22)16-2-1-9-24-16/h1-10H,11H2,(H,21,23)
InChIKeyBBICXYFZZZDNIR-UHFFFAOYSA-N
XLogP4.04
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-fluorophenyl)-6-[2-(furan-2-yl)-2-oxoethyl]sulfanylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6-[2-(furan-2-yl)-2-oxoethyl]sulfanylpyridine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-6-[2-(furan-2-yl)-2-oxoethyl]sulfanylpyridine-3-carboxamide (CID 91937292) is N-(4-fluorophenyl)-6-[2-(furan-2-yl)-2-oxoethyl]sulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-6-[2-(furan-2-yl)-2-oxoethyl]sulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-6-[2-(furan-2-yl)-2-oxoethyl]sulfanylpyridine-3-carboxamide is O=C(Nc1ccc(F)cc1)c1ccc(SCC(=O)c2ccco2)nc1.
What is the InChIKey of N-(4-fluorophenyl)-6-[2-(furan-2-yl)-2-oxoethyl]sulfanylpyridine-3-carboxamide?
The InChIKey is BBICXYFZZZDNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O3S/c19-13-4-6-14(7-5-13)21-18(23)12-3-8-17(20-10-12)25-11-15(22)16-2-1-9-24-16/h1-10H,11H2,(H,21,23).
What are the key properties of N-(4-fluorophenyl)-6-[2-(furan-2-yl)-2-oxoethyl]sulfanylpyridine-3-carboxamide?
N-(4-fluorophenyl)-6-[2-(furan-2-yl)-2-oxoethyl]sulfanylpyridine-3-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6-[2-(furan-2-yl)-2-oxoethyl]sulfanylpyridine-3-carboxamide is sourced from PubChem (CID 91937292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).