N-(4-fluoro-3-methylphenyl)-5-[2-[[1-(4-hydroxypiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide

C26H33FN4O5 — CID 146449795

About N-(4-fluoro-3-methylphenyl)-5-[2-[[1-(4-hydroxypiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide

N-(4-fluoro-3-methylphenyl)-5-[2-[[1-(4-hydroxypiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide (PubChem CID 146449795) has the molecular formula C26H33FN4O5 and a molecular weight of 500.57 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-5-[2-[[1-(4-hydroxypiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-fluoro-3-methylphenyl)-5-[2-[[1-(4-hydroxypiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide
• PubChem CID: 146449795
• Molecular Formula: C26H33FN4O5
• Molecular Weight: 500.57 g/mol
• Exact Mass: 500.24
• IUPAC Name: N-(4-fluoro-3-methylphenyl)-5-[2-[[1-(4-hydroxypiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide
• SMILES: Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC(C)(C)C(=O)N3CCC(O)CC3)n(C)c2C)ccc1F
• InChI: InChI=1S/C26H33FN4O5/c1-14-13-17(7-8-19(14)27)28-23(34)20-15(2)21(30(6)16(20)3)22(33)24(35)29-26(4,5)25(36)31-11-9-18(32)10-12-31/h7-8,13,18,32H,9-12H2,1-6H3,(H,28,34)(H,29,35)
• InChIKey: ONMGTJXNSFNKCO-UHFFFAOYSA-N
• XLogP: 2.40
• TPSA: 120.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.57
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-5-[2-[[1-(4-hydroxypiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide?

The IUPAC name of N-(4-fluoro-3-methylphenyl)-5-[2-[[1-(4-hydroxypiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide (CID 146449795) is N-(4-fluoro-3-methylphenyl)-5-[2-[[1-(4-hydroxypiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide.

What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-5-[2-[[1-(4-hydroxypiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide?

The canonical SMILES for N-(4-fluoro-3-methylphenyl)-5-[2-[[1-(4-hydroxypiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide is Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC(C)(C)C(=O)N3CCC(O)CC3)n(C)c2C)ccc1F.

What is the InChIKey of N-(4-fluoro-3-methylphenyl)-5-[2-[[1-(4-hydroxypiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide?

The InChIKey is ONMGTJXNSFNKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN4O5/c1-14-13-17(7-8-19(14)27)28-23(34)20-15(2)21(30(6)16(20)3)22(33)24(35)29-26(4,5)25(36)31-11-9-18(32)10-12-31/h7-8,13,18,32H,9-12H2,1-6H3,(H,28,34)(H,29,35).

What are the key properties of N-(4-fluoro-3-methylphenyl)-5-[2-[[1-(4-hydroxypiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide?

N-(4-fluoro-3-methylphenyl)-5-[2-[[1-(4-hydroxypiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide has a molecular weight of 500.57 g/mol, XLogP of 2.40, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluoro-3-methylphenyl)-5-[2-[[1-(4-hydroxypiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide is sourced from PubChem (CID 146449795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).