6-(2-fluorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide

C26H21FN2O3S — CID 24743092

IUPAC6-(2-fluorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2ccc(CNC(=O)c3ccc(-c4ccccc4F)nc3)cc2)cc1
InChIInChI=1S/C26H21FN2O3S/c1-33(31,32)22-13-10-20(11-14-22)19-8-6-18(7-9-19)16-29-26(30)21-12-15-25(28-17-21)23-4-2-3-5-24(23)27/h2-15,17H,16H2,1H3,(H,29,30)
InChIKeyMMKRUYPWBQKXQB-UHFFFAOYSA-N
MW460.53 g/mol
LogP4.89
Rot. Bonds6

About 6-(2-fluorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide

6-(2-fluorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 24743092) has the molecular formula C26H21FN2O3S and a molecular weight of 460.53 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-fluorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID24743092
Molecular FormulaC26H21FN2O3S
Molecular Weight460.53 g/mol
Exact Mass460.13
IUPAC Name6-(2-fluorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2ccc(CNC(=O)c3ccc(-c4ccccc4F)nc3)cc2)cc1
InChIInChI=1S/C26H21FN2O3S/c1-33(31,32)22-13-10-20(11-14-22)19-8-6-18(7-9-19)16-29-26(30)21-12-15-25(28-17-21)23-4-2-3-5-24(23)27/h2-15,17H,16H2,1H3,(H,29,30)
InChIKeyMMKRUYPWBQKXQB-UHFFFAOYSA-N
XLogP4.89
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-(2-fluorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide (CID 24743092) is 6-(2-fluorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-fluorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(2-fluorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide is CS(=O)(=O)c1ccc(-c2ccc(CNC(=O)c3ccc(-c4ccccc4F)nc3)cc2)cc1.
What is the InChIKey of 6-(2-fluorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is MMKRUYPWBQKXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN2O3S/c1-33(31,32)22-13-10-20(11-14-22)19-8-6-18(7-9-19)16-29-26(30)21-12-15-25(28-17-21)23-4-2-3-5-24(23)27/h2-15,17H,16H2,1H3,(H,29,30).
What are the key properties of 6-(2-fluorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide?
6-(2-fluorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 460.53 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 24743092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).