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

C23H23FN2O2S — CID 46908251

IUPAC2-[3-(4-fluorophenyl)propylsulfanyl]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cccnc1SCCCc1ccc(F)cc1
InChIInChI=1S/C23H23FN2O2S/c1-28-21-9-3-2-7-18(21)16-26-22(27)20-8-4-14-25-23(20)29-15-5-6-17-10-12-19(24)13-11-17/h2-4,7-14H,5-6,15-16H2,1H3,(H,26,27)
InChIKeyAHJUBDVQZBOQTB-UHFFFAOYSA-N
MW410.51 g/mol
LogP4.88
Rot. Bonds9

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

2-[3-(4-fluorophenyl)propylsulfanyl]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 46908251) has the molecular formula C23H23FN2O2S and a molecular weight of 410.51 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)propylsulfanyl]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)propylsulfanyl]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID46908251
Molecular FormulaC23H23FN2O2S
Molecular Weight410.51 g/mol
Exact Mass410.15
IUPAC Name2-[3-(4-fluorophenyl)propylsulfanyl]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cccnc1SCCCc1ccc(F)cc1
InChIInChI=1S/C23H23FN2O2S/c1-28-21-9-3-2-7-18(21)16-26-22(27)20-8-4-14-25-23(20)29-15-5-6-17-10-12-19(24)13-11-17/h2-4,7-14H,5-6,15-16H2,1H3,(H,26,27)
InChIKeyAHJUBDVQZBOQTB-UHFFFAOYSA-N
XLogP4.88
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methylsulfanyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 2083057
N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 2093193
2-methoxy-N-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]benzamide
CID 2098987
2-ethoxy-N-(3-phenylsulfanylpropyl)pyridine-3-carboxamide
CID 2517314
N-[2-(4-methoxyphenyl)ethyl]-2-pyridin-2-ylsulfanylacetamide
CID 2646355
2-(4-Fluoro-phenoxy)-N-(4-methoxy-benzyl)-nicotinamide
CID 9884857
2-(pyridin-4-ylmethylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 10024231
N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide
CID 10094283
2-(2,4-Dimethoxy-phenylmethanesulfinyl)-N-pyridin-4-yl-nicotinamide
CID 10386097
2-(pyridin-4-ylmethylsulfanyl)-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 10453929
2-(4-fluorophenoxy)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 14555282
[5-(4-Fluorophenylcarbamoyl)Pyridin-2-Ylsulfanyl]Acetic Acid 3-Fluoro-Benzyl Ester
CID 15980787

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)propylsulfanyl]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-[3-(4-fluorophenyl)propylsulfanyl]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide (CID 46908251) is 2-[3-(4-fluorophenyl)propylsulfanyl]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[3-(4-fluorophenyl)propylsulfanyl]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[3-(4-fluorophenyl)propylsulfanyl]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide is COc1ccccc1CNC(=O)c1cccnc1SCCCc1ccc(F)cc1.
What is the InChIKey of 2-[3-(4-fluorophenyl)propylsulfanyl]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is AHJUBDVQZBOQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O2S/c1-28-21-9-3-2-7-18(21)16-26-22(27)20-8-4-14-25-23(20)29-15-5-6-17-10-12-19(24)13-11-17/h2-4,7-14H,5-6,15-16H2,1H3,(H,26,27).
What are the key properties of 2-[3-(4-fluorophenyl)propylsulfanyl]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
2-[3-(4-fluorophenyl)propylsulfanyl]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 410.51 g/mol, XLogP of 4.88, 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-methoxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 46908251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).