5-formyl-N-[3-[3-[2-(5-formyl-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide;5-(hydroxymethyl)-N-[3-[3-[2-[5-(hydroxymethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide

C58H50N6O8 — CID 158445260

About 5-formyl-N-[3-[3-[2-(5-formyl-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide;5-(hydroxymethyl)-N-[3-[3-[2-[5-(hydroxymethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide

5-formyl-N-[3-[3-[2-(5-formyl-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide;5-(hydroxymethyl)-N-[3-[3-[2-[5-(hydroxymethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide (PubChem CID 158445260) has the molecular formula C58H50N6O8 and a molecular weight of 959.07 g/mol. Its IUPAC name is 5-formyl-N-[3-[3-[2-(5-formyl-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide;5-(hydroxymethyl)-N-[3-[3-[2-[5-(hydroxymethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-formyl-N-[3-[3-[2-(5-formyl-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide;5-(hydroxymethyl)-N-[3-[3-[2-[5-(hydroxymethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide
• PubChem CID: 158445260
• Molecular Formula: C58H50N6O8
• Molecular Weight: 959.07 g/mol
• Exact Mass: 958.37
• IUPAC Name: 5-formyl-N-[3-[3-[2-(5-formyl-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide;5-(hydroxymethyl)-N-[3-[3-[2-[5-(hydroxymethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide
• SMILES: Cc1c(CC(=O)c2ccc(C=O)cn2)cccc1-c1cccc(NC(=O)c2ccc(C=O)cn2)c1C.Cc1c(CC(=O)c2ccc(CO)cn2)cccc1-c1cccc(NC(=O)c2ccc(CO)cn2)c1C
• InChI: InChI=1S/C29H27N3O4.C29H23N3O4/c2*1-18-22(13-28(35)26-11-9-20(16-33)14-30-26)5-3-6-23(18)24-7-4-8-25(19(24)2)32-29(36)27-12-10-21(17-34)15-31-27/h3-12,14-15,33-34H,13,16-17H2,1-2H3,(H,32,36);3-12,14-17H,13H2,1-2H3,(H,32,36)
• InChIKey: HDHUZLRIJBFHMB-UHFFFAOYSA-N
• XLogP: 9.49
• TPSA: 218.50 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	959.07
LogP ≤ 5	9.49
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-formyl-N-[3-[3-[2-(5-formyl-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide;5-(hydroxymethyl)-N-[3-[3-[2-[5-(hydroxymethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide?

The IUPAC name of 5-formyl-N-[3-[3-[2-(5-formyl-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide;5-(hydroxymethyl)-N-[3-[3-[2-[5-(hydroxymethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide (CID 158445260) is 5-formyl-N-[3-[3-[2-(5-formyl-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide;5-(hydroxymethyl)-N-[3-[3-[2-[5-(hydroxymethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide.

What is the SMILES notation for 5-formyl-N-[3-[3-[2-(5-formyl-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide;5-(hydroxymethyl)-N-[3-[3-[2-[5-(hydroxymethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide?

The canonical SMILES for 5-formyl-N-[3-[3-[2-(5-formyl-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide;5-(hydroxymethyl)-N-[3-[3-[2-[5-(hydroxymethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide is Cc1c(CC(=O)c2ccc(C=O)cn2)cccc1-c1cccc(NC(=O)c2ccc(C=O)cn2)c1C.Cc1c(CC(=O)c2ccc(CO)cn2)cccc1-c1cccc(NC(=O)c2ccc(CO)cn2)c1C.

What is the InChIKey of 5-formyl-N-[3-[3-[2-(5-formyl-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide;5-(hydroxymethyl)-N-[3-[3-[2-[5-(hydroxymethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide?

The InChIKey is HDHUZLRIJBFHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O4.C29H23N3O4/c2*1-18-22(13-28(35)26-11-9-20(16-33)14-30-26)5-3-6-23(18)24-7-4-8-25(19(24)2)32-29(36)27-12-10-21(17-34)15-31-27/h3-12,14-15,33-34H,13,16-17H2,1-2H3,(H,32,36);3-12,14-17H,13H2,1-2H3,(H,32,36).

What are the key properties of 5-formyl-N-[3-[3-[2-(5-formyl-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide;5-(hydroxymethyl)-N-[3-[3-[2-[5-(hydroxymethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide?

5-formyl-N-[3-[3-[2-(5-formyl-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide;5-(hydroxymethyl)-N-[3-[3-[2-[5-(hydroxymethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide has a molecular weight of 959.07 g/mol, XLogP of 9.49, 16 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-formyl-N-[3-[3-[2-(5-formyl-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide;5-(hydroxymethyl)-N-[3-[3-[2-[5-(hydroxymethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide is sourced from PubChem (CID 158445260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).