6-cyano-N-[3-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)propyl]pyridine-3-carboxamide

C23H20FN3O3S — CID 70690881

IUPAC6-cyano-N-[3-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)propyl]pyridine-3-carboxamide
SMILESCS(=O)(=O)c1ccc(C(CCNC(=O)c2ccc(C#N)nc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H20FN3O3S/c1-31(29,30)21-10-5-17(6-11-21)22(16-2-7-19(24)8-3-16)12-13-26-23(28)18-4-9-20(14-25)27-15-18/h2-11,15,22H,12-13H2,1H3,(H,26,28)
InChIKeyAHDWNBDIICRXDK-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.45
Rot. Bonds7

About 6-cyano-N-[3-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)propyl]pyridine-3-carboxamide

6-cyano-N-[3-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)propyl]pyridine-3-carboxamide (PubChem CID 70690881) has the molecular formula C23H20FN3O3S and a molecular weight of 437.50 g/mol. Its IUPAC name is 6-cyano-N-[3-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-cyano-N-[3-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)propyl]pyridine-3-carboxamide
PubChem CID70690881
Molecular FormulaC23H20FN3O3S
Molecular Weight437.50 g/mol
Exact Mass437.12
IUPAC Name6-cyano-N-[3-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)propyl]pyridine-3-carboxamide
SMILESCS(=O)(=O)c1ccc(C(CCNC(=O)c2ccc(C#N)nc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H20FN3O3S/c1-31(29,30)21-10-5-17(6-11-21)22(16-2-7-19(24)8-3-16)12-13-26-23(28)18-4-9-20(14-25)27-15-18/h2-11,15,22H,12-13H2,1H3,(H,26,28)
InChIKeyAHDWNBDIICRXDK-UHFFFAOYSA-N
XLogP3.45
TPSA99.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-cyano-N-[3-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)propyl]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 6-cyano-N-[3-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)propyl]pyridine-3-carboxamide?
The IUPAC name of 6-cyano-N-[3-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)propyl]pyridine-3-carboxamide (CID 70690881) is 6-cyano-N-[3-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-cyano-N-[3-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)propyl]pyridine-3-carboxamide?
The canonical SMILES for 6-cyano-N-[3-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)propyl]pyridine-3-carboxamide is CS(=O)(=O)c1ccc(C(CCNC(=O)c2ccc(C#N)nc2)c2ccc(F)cc2)cc1.
What is the InChIKey of 6-cyano-N-[3-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)propyl]pyridine-3-carboxamide?
The InChIKey is AHDWNBDIICRXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3S/c1-31(29,30)21-10-5-17(6-11-21)22(16-2-7-19(24)8-3-16)12-13-26-23(28)18-4-9-20(14-25)27-15-18/h2-11,15,22H,12-13H2,1H3,(H,26,28).
What are the key properties of 6-cyano-N-[3-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)propyl]pyridine-3-carboxamide?
6-cyano-N-[3-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)propyl]pyridine-3-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-[3-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 70690881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).