N'-[[4-[[2-(6-methoxy-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine

C35H43N7O — CID 59751010

About N'-[[4-[[2-(6-methoxy-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine

N'-[[4-[[2-(6-methoxy-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine (PubChem CID 59751010) has the molecular formula C35H43N7O and a molecular weight of 577.78 g/mol. Its IUPAC name is N'-[[4-[[2-(6-methoxy-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine.

Molecular Properties

• Compound Name: N'-[[4-[[2-(6-methoxy-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
• PubChem CID: 59751010
• Molecular Formula: C35H43N7O
• Molecular Weight: 577.78 g/mol
• Exact Mass: 577.35
• IUPAC Name: N'-[[4-[[2-(6-methoxy-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
• SMILES: COc1ccc2c(CCNCc3ccc(CN(CCNCc4ccccn4)CCNCc4ccccn4)cc3)c[nH]c2c1
• InChI: InChI=1S/C35H43N7O/c1-43-33-12-13-34-30(24-41-35(34)22-33)14-17-36-23-28-8-10-29(11-9-28)27-42(20-18-37-25-31-6-2-4-15-39-31)21-19-38-26-32-7-3-5-16-40-32/h2-13,15-16,22,24,36-38,41H,14,17-21,23,25-27H2,1H3
• InChIKey: DSZKTNSZXJIECH-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 90.13 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 18
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	577.78
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-[[4-[[2-(6-methoxy-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine?

The IUPAC name of N'-[[4-[[2-(6-methoxy-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine (CID 59751010) is N'-[[4-[[2-(6-methoxy-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine.

What is the SMILES notation for N'-[[4-[[2-(6-methoxy-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine?

The canonical SMILES for N'-[[4-[[2-(6-methoxy-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine is COc1ccc2c(CCNCc3ccc(CN(CCNCc4ccccn4)CCNCc4ccccn4)cc3)c[nH]c2c1.

What is the InChIKey of N'-[[4-[[2-(6-methoxy-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine?

The InChIKey is DSZKTNSZXJIECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H43N7O/c1-43-33-12-13-34-30(24-41-35(34)22-33)14-17-36-23-28-8-10-29(11-9-28)27-42(20-18-37-25-31-6-2-4-15-39-31)21-19-38-26-32-7-3-5-16-40-32/h2-13,15-16,22,24,36-38,41H,14,17-21,23,25-27H2,1H3.

What are the key properties of N'-[[4-[[2-(6-methoxy-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine?

N'-[[4-[[2-(6-methoxy-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine has a molecular weight of 577.78 g/mol, XLogP of 4.68, 18 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[[4-[[2-(6-methoxy-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 59751010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).