6-benzylsulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide

C19H15FN2OS — CID 44775716

IUPAC6-benzylsulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(SCc2ccccc2)nc1
InChIInChI=1S/C19H15FN2OS/c20-16-7-9-17(10-8-16)22-19(23)15-6-11-18(21-12-15)24-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,22,23)
InChIKeyGONKDWMMEVEWTQ-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.77
Rot. Bonds5

About 6-benzylsulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide

6-benzylsulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide (PubChem CID 44775716) has the molecular formula C19H15FN2OS and a molecular weight of 338.41 g/mol. Its IUPAC name is 6-benzylsulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-benzylsulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide
PubChem CID44775716
Molecular FormulaC19H15FN2OS
Molecular Weight338.41 g/mol
Exact Mass338.09
IUPAC Name6-benzylsulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(SCc2ccccc2)nc1
InChIInChI=1S/C19H15FN2OS/c20-16-7-9-17(10-8-16)22-19(23)15-6-11-18(21-12-15)24-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,22,23)
InChIKeyGONKDWMMEVEWTQ-UHFFFAOYSA-N
XLogP4.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-benzylsulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 6-benzylsulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide (CID 44775716) is 6-benzylsulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-benzylsulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-benzylsulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide is O=C(Nc1ccc(F)cc1)c1ccc(SCc2ccccc2)nc1.
What is the InChIKey of 6-benzylsulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is GONKDWMMEVEWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2OS/c20-16-7-9-17(10-8-16)22-19(23)15-6-11-18(21-12-15)24-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,22,23).
What are the key properties of 6-benzylsulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide?
6-benzylsulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzylsulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 44775716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).