4-[3-[2-(dimethylamino)-2-oxoethyl]-N-formylanilino]-N-ethyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide

C₂₉H₃₄FN₅O₄ — CID 155743964

About 4-[3-[2-(dimethylamino)-2-oxoethyl]-N-formylanilino]-N-ethyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide

4-[3-[2-(dimethylamino)-2-oxoethyl]-N-formylanilino]-N-ethyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide (PubChem CID 155743964) has the molecular formula C₂₉H₃₄FN₅O₄ and a molecular weight of 535.62 g/mol. Its IUPAC name is 4-[3-[2-(dimethylamino)-2-oxoethyl]-N-formylanilino]-N-ethyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[3-[2-(dimethylamino)-2-oxoethyl]-N-formylanilino]-N-ethyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide
• PubChem CID: 155743964
• Molecular Formula: C₂₉H₃₄FN₅O₄
• Molecular Weight: 535.62 g/mol
• Exact Mass: 535.26
• IUPAC Name: 4-[3-[2-(dimethylamino)-2-oxoethyl]-N-formylanilino]-N-ethyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide
• SMILES: CCN(C)C(=O)c1c(N(C=O)c2cccc(CC(=O)N(C)C)c2)c(C)c(=O)n(C)c1Nc1ccc(C)cc1F
• InChI: InChI=1S/C29H34FN5O4/c1-8-33(6)29(39)25-26(35(17-36)21-11-9-10-20(15-21)16-24(37)32(4)5)19(3)28(38)34(7)27(25)31-23-13-12-18(2)14-22(23)30/h9-15,17,31H,8,16H2,1-7H3
• InChIKey: SKCKZZBCEIJSRZ-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 94.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.62
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(dimethylamino)-2-oxoethyl]-N-formylanilino]-N-ethyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide?

The IUPAC name of 4-[3-[2-(dimethylamino)-2-oxoethyl]-N-formylanilino]-N-ethyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide (CID 155743964) is 4-[3-[2-(dimethylamino)-2-oxoethyl]-N-formylanilino]-N-ethyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide.

What is the SMILES notation for 4-[3-[2-(dimethylamino)-2-oxoethyl]-N-formylanilino]-N-ethyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide?

The canonical SMILES for 4-[3-[2-(dimethylamino)-2-oxoethyl]-N-formylanilino]-N-ethyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide is CCN(C)C(=O)c1c(N(C=O)c2cccc(CC(=O)N(C)C)c2)c(C)c(=O)n(C)c1Nc1ccc(C)cc1F.

What is the InChIKey of 4-[3-[2-(dimethylamino)-2-oxoethyl]-N-formylanilino]-N-ethyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide?

The InChIKey is SKCKZZBCEIJSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FN5O4/c1-8-33(6)29(39)25-26(35(17-36)21-11-9-10-20(15-21)16-24(37)32(4)5)19(3)28(38)34(7)27(25)31-23-13-12-18(2)14-22(23)30/h9-15,17,31H,8,16H2,1-7H3.

What are the key properties of 4-[3-[2-(dimethylamino)-2-oxoethyl]-N-formylanilino]-N-ethyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide?

4-[3-[2-(dimethylamino)-2-oxoethyl]-N-formylanilino]-N-ethyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide has a molecular weight of 535.62 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[2-(dimethylamino)-2-oxoethyl]-N-formylanilino]-N-ethyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 155743964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155743964 — identifiers, structure, computed properties (public domain)

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