4-[3-(1-amino-2-methyl-1-oxopropan-2-yl)oxy-N-formylanilino]-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide

C27H30FN5O5 — CID 155743845

About 4-[3-(1-amino-2-methyl-1-oxopropan-2-yl)oxy-N-formylanilino]-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide

4-[3-(1-amino-2-methyl-1-oxopropan-2-yl)oxy-N-formylanilino]-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide (PubChem CID 155743845) has the molecular formula C27H30FN5O5 and a molecular weight of 523.57 g/mol. Its IUPAC name is 4-[3-(1-amino-2-methyl-1-oxopropan-2-yl)oxy-N-formylanilino]-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[3-(1-amino-2-methyl-1-oxopropan-2-yl)oxy-N-formylanilino]-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide
• PubChem CID: 155743845
• Molecular Formula: C27H30FN5O5
• Molecular Weight: 523.57 g/mol
• Exact Mass: 523.22
• IUPAC Name: 4-[3-(1-amino-2-methyl-1-oxopropan-2-yl)oxy-N-formylanilino]-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide
• SMILES: CNC(=O)c1c(N(C=O)c2cccc(OC(C)(C)C(N)=O)c2)c(C)c(=O)n(C)c1Nc1ccc(C)cc1F
• InChI: InChI=1S/C27H30FN5O5/c1-15-10-11-20(19(28)12-15)31-23-21(24(35)30-5)22(16(2)25(36)32(23)6)33(14-34)17-8-7-9-18(13-17)38-27(3,4)26(29)37/h7-14,31H,1-6H3,(H2,29,37)(H,30,35)
• InChIKey: LTGIHIGZOSBQKE-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 135.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.57
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	3
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-(1-amino-2-methyl-1-oxopropan-2-yl)oxy-N-formylanilino]-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide?

The IUPAC name of 4-[3-(1-amino-2-methyl-1-oxopropan-2-yl)oxy-N-formylanilino]-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide (CID 155743845) is 4-[3-(1-amino-2-methyl-1-oxopropan-2-yl)oxy-N-formylanilino]-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide.

What is the SMILES notation for 4-[3-(1-amino-2-methyl-1-oxopropan-2-yl)oxy-N-formylanilino]-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide?

The canonical SMILES for 4-[3-(1-amino-2-methyl-1-oxopropan-2-yl)oxy-N-formylanilino]-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide is CNC(=O)c1c(N(C=O)c2cccc(OC(C)(C)C(N)=O)c2)c(C)c(=O)n(C)c1Nc1ccc(C)cc1F.

What is the InChIKey of 4-[3-(1-amino-2-methyl-1-oxopropan-2-yl)oxy-N-formylanilino]-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide?

The InChIKey is LTGIHIGZOSBQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN5O5/c1-15-10-11-20(19(28)12-15)31-23-21(24(35)30-5)22(16(2)25(36)32(23)6)33(14-34)17-8-7-9-18(13-17)38-27(3,4)26(29)37/h7-14,31H,1-6H3,(H2,29,37)(H,30,35).

What are the key properties of 4-[3-(1-amino-2-methyl-1-oxopropan-2-yl)oxy-N-formylanilino]-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide?

4-[3-(1-amino-2-methyl-1-oxopropan-2-yl)oxy-N-formylanilino]-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide has a molecular weight of 523.57 g/mol, XLogP of 3.18, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(1-amino-2-methyl-1-oxopropan-2-yl)oxy-N-formylanilino]-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 155743845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).