5-[2-(6-methyl-3-pyridinyl)ethyl]-2-pentyl-3,4-dihydro-1H-pyrido[4,3-b]indole

C24H31N3 — CID 141242882

About 5-[2-(6-methyl-3-pyridinyl)ethyl]-2-pentyl-3,4-dihydro-1H-pyrido[4,3-b]indole

5-[2-(6-methyl-3-pyridinyl)ethyl]-2-pentyl-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 141242882) has the molecular formula C24H31N3 and a molecular weight of 361.53 g/mol. Its IUPAC name is 5-[2-(6-methyl-3-pyridinyl)ethyl]-2-pentyl-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 5-[2-(6-methyl-3-pyridinyl)ethyl]-2-pentyl-3,4-dihydro-1H-pyrido[4,3-b]indole
• PubChem CID: 141242882
• Molecular Formula: C24H31N3
• Molecular Weight: 361.53 g/mol
• Exact Mass: 361.25
• IUPAC Name: 5-[2-(6-methyl-3-pyridinyl)ethyl]-2-pentyl-3,4-dihydro-1H-pyrido[4,3-b]indole
• SMILES: CCCCCN1CCc2c(c3ccccc3n2CCc2ccc(C)nc2)C1
• InChI: InChI=1S/C24H31N3/c1-3-4-7-14-26-15-13-24-22(18-26)21-8-5-6-9-23(21)27(24)16-12-20-11-10-19(2)25-17-20/h5-6,8-11,17H,3-4,7,12-16,18H2,1-2H3
• InChIKey: UNMPLFWLRUKFBZ-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 21.06 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	361.53
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-(6-methyl-3-pyridinyl)ethyl]-2-pentyl-3,4-dihydro-1H-pyrido[4,3-b]indole?

The IUPAC name of 5-[2-(6-methyl-3-pyridinyl)ethyl]-2-pentyl-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 141242882) is 5-[2-(6-methyl-3-pyridinyl)ethyl]-2-pentyl-3,4-dihydro-1H-pyrido[4,3-b]indole.

What is the SMILES notation for 5-[2-(6-methyl-3-pyridinyl)ethyl]-2-pentyl-3,4-dihydro-1H-pyrido[4,3-b]indole?

The canonical SMILES for 5-[2-(6-methyl-3-pyridinyl)ethyl]-2-pentyl-3,4-dihydro-1H-pyrido[4,3-b]indole is CCCCCN1CCc2c(c3ccccc3n2CCc2ccc(C)nc2)C1.

What is the InChIKey of 5-[2-(6-methyl-3-pyridinyl)ethyl]-2-pentyl-3,4-dihydro-1H-pyrido[4,3-b]indole?

The InChIKey is UNMPLFWLRUKFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3/c1-3-4-7-14-26-15-13-24-22(18-26)21-8-5-6-9-23(21)27(24)16-12-20-11-10-19(2)25-17-20/h5-6,8-11,17H,3-4,7,12-16,18H2,1-2H3.

What are the key properties of 5-[2-(6-methyl-3-pyridinyl)ethyl]-2-pentyl-3,4-dihydro-1H-pyrido[4,3-b]indole?

5-[2-(6-methyl-3-pyridinyl)ethyl]-2-pentyl-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 361.53 g/mol, XLogP of 5.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(6-methyl-3-pyridinyl)ethyl]-2-pentyl-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 141242882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).