6-[(2-fluoro-3-methylphenyl)methylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide

C20H16F2N2OS — CID 46897453

IUPAC6-[(2-fluoro-3-methylphenyl)methylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide
SMILESCc1cccc(CSc2ccc(C(=O)Nc3ccc(F)cc3)cn2)c1F
InChIInChI=1S/C20H16F2N2OS/c1-13-3-2-4-15(19(13)22)12-26-18-10-5-14(11-23-18)20(25)24-17-8-6-16(21)7-9-17/h2-11H,12H2,1H3,(H,24,25)
InChIKeyBYWFWWXPFQIRHR-UHFFFAOYSA-N
MW370.42 g/mol
LogP5.21
Rot. Bonds5

About 6-[(2-fluoro-3-methylphenyl)methylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide

6-[(2-fluoro-3-methylphenyl)methylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide (PubChem CID 46897453) has the molecular formula C20H16F2N2OS and a molecular weight of 370.42 g/mol. Its IUPAC name is 6-[(2-fluoro-3-methylphenyl)methylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-fluoro-3-methylphenyl)methylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide
PubChem CID46897453
Molecular FormulaC20H16F2N2OS
Molecular Weight370.42 g/mol
Exact Mass370.10
IUPAC Name6-[(2-fluoro-3-methylphenyl)methylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide
SMILESCc1cccc(CSc2ccc(C(=O)Nc3ccc(F)cc3)cn2)c1F
InChIInChI=1S/C20H16F2N2OS/c1-13-3-2-4-15(19(13)22)12-26-18-10-5-14(11-23-18)20(25)24-17-8-6-16(21)7-9-17/h2-11H,12H2,1H3,(H,24,25)
InChIKeyBYWFWWXPFQIRHR-UHFFFAOYSA-N
XLogP5.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.42
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluoro-3-methylphenyl)methylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 6-[(2-fluoro-3-methylphenyl)methylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide (CID 46897453) is 6-[(2-fluoro-3-methylphenyl)methylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(2-fluoro-3-methylphenyl)methylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[(2-fluoro-3-methylphenyl)methylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide is Cc1cccc(CSc2ccc(C(=O)Nc3ccc(F)cc3)cn2)c1F.
What is the InChIKey of 6-[(2-fluoro-3-methylphenyl)methylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is BYWFWWXPFQIRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2OS/c1-13-3-2-4-15(19(13)22)12-26-18-10-5-14(11-23-18)20(25)24-17-8-6-16(21)7-9-17/h2-11H,12H2,1H3,(H,24,25).
What are the key properties of 6-[(2-fluoro-3-methylphenyl)methylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide?
6-[(2-fluoro-3-methylphenyl)methylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 370.42 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluoro-3-methylphenyl)methylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 46897453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).