5-(4-cyanophenyl)sulfinyl-N-cyclopropyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C24H18F3N3O3S — CID 11847742

About 5-(4-cyanophenyl)sulfinyl-N-cyclopropyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

5-(4-cyanophenyl)sulfinyl-N-cyclopropyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 11847742) has the molecular formula C24H18F3N3O3S and a molecular weight of 485.49 g/mol. Its IUPAC name is 5-(4-cyanophenyl)sulfinyl-N-cyclopropyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(4-cyanophenyl)sulfinyl-N-cyclopropyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
• PubChem CID: 11847742
• Molecular Formula: C24H18F3N3O3S
• Molecular Weight: 485.49 g/mol
• Exact Mass: 485.10
• IUPAC Name: 5-(4-cyanophenyl)sulfinyl-N-cyclopropyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
• SMILES: Cc1c(S(=O)c2ccc(C#N)cc2)cc(C(=O)NC2CC2)c(=O)n1-c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C24H18F3N3O3S/c1-14-21(34(33)19-9-5-15(13-28)6-10-19)12-20(22(31)29-17-7-8-17)23(32)30(14)18-4-2-3-16(11-18)24(25,26)27/h2-6,9-12,17H,7-8H2,1H3,(H,29,31)
• InChIKey: LARXSFJKOHJCHT-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 91.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.49
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyanophenyl)sulfinyl-N-cyclopropyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

The IUPAC name of 5-(4-cyanophenyl)sulfinyl-N-cyclopropyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 11847742) is 5-(4-cyanophenyl)sulfinyl-N-cyclopropyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

What is the SMILES notation for 5-(4-cyanophenyl)sulfinyl-N-cyclopropyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

The canonical SMILES for 5-(4-cyanophenyl)sulfinyl-N-cyclopropyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is Cc1c(S(=O)c2ccc(C#N)cc2)cc(C(=O)NC2CC2)c(=O)n1-c1cccc(C(F)(F)F)c1.

What is the InChIKey of 5-(4-cyanophenyl)sulfinyl-N-cyclopropyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

The InChIKey is LARXSFJKOHJCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O3S/c1-14-21(34(33)19-9-5-15(13-28)6-10-19)12-20(22(31)29-17-7-8-17)23(32)30(14)18-4-2-3-16(11-18)24(25,26)27/h2-6,9-12,17H,7-8H2,1H3,(H,29,31).

What are the key properties of 5-(4-cyanophenyl)sulfinyl-N-cyclopropyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

5-(4-cyanophenyl)sulfinyl-N-cyclopropyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 485.49 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-cyanophenyl)sulfinyl-N-cyclopropyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 11847742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).