5-(3-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-2-carboxamide

C₂₄H₂₃N₃O₂ — CID 155522361

About 5-(3-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-2-carboxamide

5-(3-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-2-carboxamide (PubChem CID 155522361) has the molecular formula C₂₄H₂₃N₃O₂ and a molecular weight of 385.47 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-(3-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-2-carboxamide
• PubChem CID: 155522361
• Molecular Formula: C₂₄H₂₃N₃O₂
• Molecular Weight: 385.47 g/mol
• Exact Mass: 385.18
• IUPAC Name: 5-(3-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-2-carboxamide
• SMILES: COc1cccc(-c2ccc(C(=O)NCCc3c(C)[nH]c4ccccc34)nc2)c1
• InChI: InChI=1S/C24H23N3O2/c1-16-20(21-8-3-4-9-22(21)27-16)12-13-25-24(28)23-11-10-18(15-26-23)17-6-5-7-19(14-17)29-2/h3-11,14-15,27H,12-13H2,1-2H3,(H,25,28)
• InChIKey: FSAHMHQHUYZTBI-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 67.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.47
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-2-carboxamide?

The IUPAC name of 5-(3-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-2-carboxamide (CID 155522361) is 5-(3-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-2-carboxamide.

What is the SMILES notation for 5-(3-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-2-carboxamide?

The canonical SMILES for 5-(3-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-2-carboxamide is COc1cccc(-c2ccc(C(=O)NCCc3c(C)[nH]c4ccccc34)nc2)c1.

What is the InChIKey of 5-(3-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-2-carboxamide?

The InChIKey is FSAHMHQHUYZTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-16-20(21-8-3-4-9-22(21)27-16)12-13-25-24(28)23-11-10-18(15-26-23)17-6-5-7-19(14-17)29-2/h3-11,14-15,27H,12-13H2,1-2H3,(H,25,28).

What are the key properties of 5-(3-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-2-carboxamide?

5-(3-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 155522361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155522361 — identifiers, structure, computed properties (public domain)

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