14-[2-(dimethylamino)ethyl]-N-[3-[3-[[14-[2-(dimethylamino)ethyl]-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaene-10-carbonyl]amino]propyl-methylamino]propyl]-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaene-10-carboxamide

C43H51N11O2 — CID 135426709

About 14-[2-(dimethylamino)ethyl]-N-[3-[3-[[14-[2-(dimethylamino)ethyl]-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaene-10-carbonyl]amino]propyl-methylamino]propyl]-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaene-10-carboxamide

14-[2-(dimethylamino)ethyl]-N-[3-[3-[[14-[2-(dimethylamino)ethyl]-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaene-10-carbonyl]amino]propyl-methylamino]propyl]-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaene-10-carboxamide (PubChem CID 135426709) has the molecular formula C43H51N11O2 and a molecular weight of 753.96 g/mol. Its IUPAC name is 14-[2-(dimethylamino)ethyl]-N-[3-[3-[[14-[2-(dimethylamino)ethyl]-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaene-10-carbonyl]amino]propyl-methylamino]propyl]-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaene-10-carboxamide.

Molecular Properties

• Compound Name: 14-[2-(dimethylamino)ethyl]-N-[3-[3-[[14-[2-(dimethylamino)ethyl]-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaene-10-carbonyl]amino]propyl-methylamino]propyl]-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaene-10-carboxamide
• PubChem CID: 135426709
• Molecular Formula: C43H51N11O2
• Molecular Weight: 753.96 g/mol
• Exact Mass: 753.42
• IUPAC Name: 14-[2-(dimethylamino)ethyl]-N-[3-[3-[[14-[2-(dimethylamino)ethyl]-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaene-10-carbonyl]amino]propyl-methylamino]propyl]-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaene-10-carboxamide
• SMILES: CN(C)CCn1nc2c3c(c(C(=O)NCCCN(C)CCCNC(=O)c4ccc5c6c(nn5CCN(C)C)-c5ccccc5Nc46)ccc31)Nc1ccccc1-2
• InChI: InChI=1S/C43H51N11O2/c1-50(2)24-26-53-34-18-16-30(38-36(34)40(48-53)28-12-6-8-14-32(28)46-38)42(55)44-20-10-22-52(5)23-11-21-45-43(56)31-17-19-35-37-39(31)47-33-15-9-7-13-29(33)41(37)49-54(35)27-25-51(3)4/h6-9,12-19,46-47H,10-11,20-27H2,1-5H3,(H,44,55)(H,45,56)
• InChIKey: CSPZQMQCDUYWIE-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 127.62 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 16
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	753.96
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 14-[2-(dimethylamino)ethyl]-N-[3-[3-[[14-[2-(dimethylamino)ethyl]-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaene-10-carbonyl]amino]propyl-methylamino]propyl]-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaene-10-carboxamide?

The IUPAC name of 14-[2-(dimethylamino)ethyl]-N-[3-[3-[[14-[2-(dimethylamino)ethyl]-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaene-10-carbonyl]amino]propyl-methylamino]propyl]-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaene-10-carboxamide (CID 135426709) is 14-[2-(dimethylamino)ethyl]-N-[3-[3-[[14-[2-(dimethylamino)ethyl]-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaene-10-carbonyl]amino]propyl-methylamino]propyl]-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaene-10-carboxamide.

What is the SMILES notation for 14-[2-(dimethylamino)ethyl]-N-[3-[3-[[14-[2-(dimethylamino)ethyl]-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaene-10-carbonyl]amino]propyl-methylamino]propyl]-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaene-10-carboxamide?

The canonical SMILES for 14-[2-(dimethylamino)ethyl]-N-[3-[3-[[14-[2-(dimethylamino)ethyl]-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaene-10-carbonyl]amino]propyl-methylamino]propyl]-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaene-10-carboxamide is CN(C)CCn1nc2c3c(c(C(=O)NCCCN(C)CCCNC(=O)c4ccc5c6c(nn5CCN(C)C)-c5ccccc5Nc46)ccc31)Nc1ccccc1-2.

What is the InChIKey of 14-[2-(dimethylamino)ethyl]-N-[3-[3-[[14-[2-(dimethylamino)ethyl]-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaene-10-carbonyl]amino]propyl-methylamino]propyl]-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaene-10-carboxamide?

The InChIKey is CSPZQMQCDUYWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H51N11O2/c1-50(2)24-26-53-34-18-16-30(38-36(34)40(48-53)28-12-6-8-14-32(28)46-38)42(55)44-20-10-22-52(5)23-11-21-45-43(56)31-17-19-35-37-39(31)47-33-15-9-7-13-29(33)41(37)49-54(35)27-25-51(3)4/h6-9,12-19,46-47H,10-11,20-27H2,1-5H3,(H,44,55)(H,45,56).

What are the key properties of 14-[2-(dimethylamino)ethyl]-N-[3-[3-[[14-[2-(dimethylamino)ethyl]-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaene-10-carbonyl]amino]propyl-methylamino]propyl]-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaene-10-carboxamide?

14-[2-(dimethylamino)ethyl]-N-[3-[3-[[14-[2-(dimethylamino)ethyl]-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaene-10-carbonyl]amino]propyl-methylamino]propyl]-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaene-10-carboxamide has a molecular weight of 753.96 g/mol, XLogP of 5.83, 16 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[2-(dimethylamino)ethyl]-N-[3-[3-[[14-[2-(dimethylamino)ethyl]-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaene-10-carbonyl]amino]propyl-methylamino]propyl]-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaene-10-carboxamide is sourced from PubChem (CID 135426709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).