2-[3-(4-fluorophenyl)propylsulfanyl]-N-(2-methoxyethyl)pyridine-3-carboxamide

C18H21FN2O2S — CID 67521470

IUPAC2-[3-(4-fluorophenyl)propylsulfanyl]-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1cccnc1SCCCc1ccc(F)cc1
InChIInChI=1S/C18H21FN2O2S/c1-23-12-11-20-17(22)16-5-2-10-21-18(16)24-13-3-4-14-6-8-15(19)9-7-14/h2,5-10H,3-4,11-13H2,1H3,(H,20,22)
InChIKeyOWCVXVPUOWYJEQ-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.32
Rot. Bonds9

About 2-[3-(4-fluorophenyl)propylsulfanyl]-N-(2-methoxyethyl)pyridine-3-carboxamide

2-[3-(4-fluorophenyl)propylsulfanyl]-N-(2-methoxyethyl)pyridine-3-carboxamide (PubChem CID 67521470) has the molecular formula C18H21FN2O2S and a molecular weight of 348.44 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)propylsulfanyl]-N-(2-methoxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)propylsulfanyl]-N-(2-methoxyethyl)pyridine-3-carboxamide
PubChem CID67521470
Molecular FormulaC18H21FN2O2S
Molecular Weight348.44 g/mol
Exact Mass348.13
IUPAC Name2-[3-(4-fluorophenyl)propylsulfanyl]-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1cccnc1SCCCc1ccc(F)cc1
InChIInChI=1S/C18H21FN2O2S/c1-23-12-11-20-17(22)16-5-2-10-21-18(16)24-13-3-4-14-6-8-15(19)9-7-14/h2,5-10H,3-4,11-13H2,1H3,(H,20,22)
InChIKeyOWCVXVPUOWYJEQ-UHFFFAOYSA-N
XLogP3.32
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[3-(4-fluorophenyl)propylsulfanyl]-N-(2-methoxyethyl)pyridine-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 2-[3-(4-fluorophenyl)propylsulfanyl]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[3-(4-fluorophenyl)propylsulfanyl]-N-(2-methoxyethyl)pyridine-3-carboxamide (CID 67521470) is 2-[3-(4-fluorophenyl)propylsulfanyl]-N-(2-methoxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[3-(4-fluorophenyl)propylsulfanyl]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[3-(4-fluorophenyl)propylsulfanyl]-N-(2-methoxyethyl)pyridine-3-carboxamide is COCCNC(=O)c1cccnc1SCCCc1ccc(F)cc1.
What is the InChIKey of 2-[3-(4-fluorophenyl)propylsulfanyl]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The InChIKey is OWCVXVPUOWYJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2S/c1-23-12-11-20-17(22)16-5-2-10-21-18(16)24-13-3-4-14-6-8-15(19)9-7-14/h2,5-10H,3-4,11-13H2,1H3,(H,20,22).
What are the key properties of 2-[3-(4-fluorophenyl)propylsulfanyl]-N-(2-methoxyethyl)pyridine-3-carboxamide?
2-[3-(4-fluorophenyl)propylsulfanyl]-N-(2-methoxyethyl)pyridine-3-carboxamide has a molecular weight of 348.44 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)propylsulfanyl]-N-(2-methoxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 67521470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).