4-(3-acetamido-N-formylanilino)-N-cyclopropyl-2-(2-fluoro-4-methylsulfanylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide

C28H30FN5O4S — CID 143152759

About 4-(3-acetamido-N-formylanilino)-N-cyclopropyl-2-(2-fluoro-4-methylsulfanylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide

4-(3-acetamido-N-formylanilino)-N-cyclopropyl-2-(2-fluoro-4-methylsulfanylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide (PubChem CID 143152759) has the molecular formula C28H30FN5O4S and a molecular weight of 551.64 g/mol. Its IUPAC name is 4-(3-acetamido-N-formylanilino)-N-cyclopropyl-2-(2-fluoro-4-methylsulfanylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-(3-acetamido-N-formylanilino)-N-cyclopropyl-2-(2-fluoro-4-methylsulfanylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide
• PubChem CID: 143152759
• Molecular Formula: C28H30FN5O4S
• Molecular Weight: 551.64 g/mol
• Exact Mass: 551.20
• IUPAC Name: 4-(3-acetamido-N-formylanilino)-N-cyclopropyl-2-(2-fluoro-4-methylsulfanylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide
• SMILES: CSc1ccc(Nc2c(C(=O)N(C)C3CC3)c(N(C=O)c3cccc(NC(C)=O)c3)c(C)c(=O)n2C)c(F)c1
• InChI: InChI=1S/C28H30FN5O4S/c1-16-25(34(15-35)20-8-6-7-18(13-20)30-17(2)36)24(28(38)32(3)19-9-10-19)26(33(4)27(16)37)31-23-12-11-21(39-5)14-22(23)29/h6-8,11-15,19,31H,9-10H2,1-5H3,(H,30,36)
• InChIKey: JIUQTSDVTYQGQZ-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 103.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	551.64
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetamido-N-formylanilino)-N-cyclopropyl-2-(2-fluoro-4-methylsulfanylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide?

The IUPAC name of 4-(3-acetamido-N-formylanilino)-N-cyclopropyl-2-(2-fluoro-4-methylsulfanylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide (CID 143152759) is 4-(3-acetamido-N-formylanilino)-N-cyclopropyl-2-(2-fluoro-4-methylsulfanylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide.

What is the SMILES notation for 4-(3-acetamido-N-formylanilino)-N-cyclopropyl-2-(2-fluoro-4-methylsulfanylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide?

The canonical SMILES for 4-(3-acetamido-N-formylanilino)-N-cyclopropyl-2-(2-fluoro-4-methylsulfanylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide is CSc1ccc(Nc2c(C(=O)N(C)C3CC3)c(N(C=O)c3cccc(NC(C)=O)c3)c(C)c(=O)n2C)c(F)c1.

What is the InChIKey of 4-(3-acetamido-N-formylanilino)-N-cyclopropyl-2-(2-fluoro-4-methylsulfanylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide?

The InChIKey is JIUQTSDVTYQGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN5O4S/c1-16-25(34(15-35)20-8-6-7-18(13-20)30-17(2)36)24(28(38)32(3)19-9-10-19)26(33(4)27(16)37)31-23-12-11-21(39-5)14-22(23)29/h6-8,11-15,19,31H,9-10H2,1-5H3,(H,30,36).

What are the key properties of 4-(3-acetamido-N-formylanilino)-N-cyclopropyl-2-(2-fluoro-4-methylsulfanylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide?

4-(3-acetamido-N-formylanilino)-N-cyclopropyl-2-(2-fluoro-4-methylsulfanylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide has a molecular weight of 551.64 g/mol, XLogP of 4.79, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-acetamido-N-formylanilino)-N-cyclopropyl-2-(2-fluoro-4-methylsulfanylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 143152759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).