N'-methyl-N-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-N'-[3-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methylamino]propyl]propane-1,3-diamine;2-(4-methyl-2-pyridinyl)-4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]pyridine

C55H59N11 — CID 70240612

About N'-methyl-N-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-N'-[3-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methylamino]propyl]propane-1,3-diamine;2-(4-methyl-2-pyridinyl)-4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]pyridine

N'-methyl-N-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-N'-[3-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methylamino]propyl]propane-1,3-diamine;2-(4-methyl-2-pyridinyl)-4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]pyridine (PubChem CID 70240612) has the molecular formula C55H59N11 and a molecular weight of 874.15 g/mol. Its IUPAC name is N'-methyl-N-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-N'-[3-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methylamino]propyl]propane-1,3-diamine;2-(4-methyl-2-pyridinyl)-4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]pyridine.

Molecular Properties

• Compound Name: N'-methyl-N-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-N'-[3-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methylamino]propyl]propane-1,3-diamine;2-(4-methyl-2-pyridinyl)-4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]pyridine
• PubChem CID: 70240612
• Molecular Formula: C55H59N11
• Molecular Weight: 874.15 g/mol
• Exact Mass: 873.50
• IUPAC Name: N'-methyl-N-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-N'-[3-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methylamino]propyl]propane-1,3-diamine;2-(4-methyl-2-pyridinyl)-4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]pyridine
• SMILES: Cc1ccnc(-c2cc(/C=C/c3ccnc(-c4cc(C)ccn4)c3)ccn2)c1.Cc1ccnc(-c2cc(CNCCCN(C)CCCNCc3ccnc(-c4cc(C)ccn4)c3)ccn2)c1
• InChI: InChI=1S/C31H39N7.C24H20N4/c1-24-6-12-34-28(18-24)30-20-26(8-14-36-30)22-32-10-4-16-38(3)17-5-11-33-23-27-9-15-37-31(21-27)29-19-25(2)7-13-35-29;1-17-5-9-25-21(13-17)23-15-19(7-11-27-23)3-4-20-8-12-28-24(16-20)22-14-18(2)6-10-26-22/h6-9,12-15,18-21,32-33H,4-5,10-11,16-17,22-23H2,1-3H3;3-16H,1-2H3/b;4-3+
• InChIKey: SWVNRHMZSFDSPD-SCBDLNNBSA-N
• XLogP: 10.20
• TPSA: 130.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 18
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	874.15
LogP ≤ 5	10.20
H-Bond Donors ≤ 5	2
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 N'-methyl-N-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-N'-[3-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methylamino]propyl]propane-1,3-diamine;2-(4-methyl-2-pyridinyl)-4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]pyridine?

The IUPAC name of N'-methyl-N-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-N'-[3-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methylamino]propyl]propane-1,3-diamine;2-(4-methyl-2-pyridinyl)-4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]pyridine (CID 70240612) is N'-methyl-N-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-N'-[3-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methylamino]propyl]propane-1,3-diamine;2-(4-methyl-2-pyridinyl)-4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]pyridine.

What is the SMILES notation for N'-methyl-N-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-N'-[3-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methylamino]propyl]propane-1,3-diamine;2-(4-methyl-2-pyridinyl)-4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]pyridine?

The canonical SMILES for N'-methyl-N-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-N'-[3-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methylamino]propyl]propane-1,3-diamine;2-(4-methyl-2-pyridinyl)-4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]pyridine is Cc1ccnc(-c2cc(/C=C/c3ccnc(-c4cc(C)ccn4)c3)ccn2)c1.Cc1ccnc(-c2cc(CNCCCN(C)CCCNCc3ccnc(-c4cc(C)ccn4)c3)ccn2)c1.

What is the InChIKey of N'-methyl-N-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-N'-[3-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methylamino]propyl]propane-1,3-diamine;2-(4-methyl-2-pyridinyl)-4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]pyridine?

The InChIKey is SWVNRHMZSFDSPD-SCBDLNNBSA-N. The full InChI is InChI=1S/C31H39N7.C24H20N4/c1-24-6-12-34-28(18-24)30-20-26(8-14-36-30)22-32-10-4-16-38(3)17-5-11-33-23-27-9-15-37-31(21-27)29-19-25(2)7-13-35-29;1-17-5-9-25-21(13-17)23-15-19(7-11-27-23)3-4-20-8-12-28-24(16-20)22-14-18(2)6-10-26-22/h6-9,12-15,18-21,32-33H,4-5,10-11,16-17,22-23H2,1-3H3;3-16H,1-2H3/b;4-3+.

What are the key properties of N'-methyl-N-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-N'-[3-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methylamino]propyl]propane-1,3-diamine;2-(4-methyl-2-pyridinyl)-4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]pyridine?

N'-methyl-N-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-N'-[3-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methylamino]propyl]propane-1,3-diamine;2-(4-methyl-2-pyridinyl)-4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]pyridine has a molecular weight of 874.15 g/mol, XLogP of 10.20, 18 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N'-methyl-N-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-N'-[3-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methylamino]propyl]propane-1,3-diamine;2-(4-methyl-2-pyridinyl)-4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]pyridine is sourced from PubChem (CID 70240612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).