N-[[5-[2-[6-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]ethyl]-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)ethanamine;bis(pyridine)

C40H46N8 — CID 157458399

About N-[[5-[2-[6-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]ethyl]-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)ethanamine;bis(pyridine)

N-[[5-[2-[6-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]ethyl]-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)ethanamine;bis(pyridine) (PubChem CID 157458399) has the molecular formula C40H46N8 and a molecular weight of 638.86 g/mol. Its IUPAC name is N-[[5-[2-[6-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]ethyl]-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)ethanamine;bis(pyridine).

Molecular Properties

• Compound Name: N-[[5-[2-[6-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]ethyl]-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)ethanamine;bis(pyridine)
• PubChem CID: 157458399
• Molecular Formula: C40H46N8
• Molecular Weight: 638.86 g/mol
• Exact Mass: 638.38
• IUPAC Name: N-[[5-[2-[6-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]ethyl]-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)ethanamine;bis(pyridine)
• SMILES: CCN(Cc1ccccn1)Cc1ccc(CCc2ccc(CN(CC)Cc3ccccn3)nc2)cn1.c1ccncc1.c1ccncc1
• InChI: InChI=1S/C30H36N6.2C5H5N/c1-3-35(21-27-9-5-7-17-31-27)23-29-15-13-25(19-33-29)11-12-26-14-16-30(34-20-26)24-36(4-2)22-28-10-6-8-18-32-28;2*1-2-4-6-5-3-1/h5-10,13-20H,3-4,11-12,21-24H2,1-2H3;2*1-5H
• InChIKey: BTQCXQOENLPSND-UHFFFAOYSA-N
• XLogP: 7.26
• TPSA: 83.82 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	638.86
LogP ≤ 5	7.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-[6-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]ethyl]-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)ethanamine;bis(pyridine)?

The IUPAC name of N-[[5-[2-[6-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]ethyl]-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)ethanamine;bis(pyridine) (CID 157458399) is N-[[5-[2-[6-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]ethyl]-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)ethanamine;bis(pyridine).

What is the SMILES notation for N-[[5-[2-[6-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]ethyl]-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)ethanamine;bis(pyridine)?

The canonical SMILES for N-[[5-[2-[6-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]ethyl]-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)ethanamine;bis(pyridine) is CCN(Cc1ccccn1)Cc1ccc(CCc2ccc(CN(CC)Cc3ccccn3)nc2)cn1.c1ccncc1.c1ccncc1.

What is the InChIKey of N-[[5-[2-[6-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]ethyl]-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)ethanamine;bis(pyridine)?

The InChIKey is BTQCXQOENLPSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N6.2C5H5N/c1-3-35(21-27-9-5-7-17-31-27)23-29-15-13-25(19-33-29)11-12-26-14-16-30(34-20-26)24-36(4-2)22-28-10-6-8-18-32-28;2*1-2-4-6-5-3-1/h5-10,13-20H,3-4,11-12,21-24H2,1-2H3;2*1-5H.

What are the key properties of N-[[5-[2-[6-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]ethyl]-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)ethanamine;bis(pyridine)?

N-[[5-[2-[6-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]ethyl]-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)ethanamine;bis(pyridine) has a molecular weight of 638.86 g/mol, XLogP of 7.26, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[2-[6-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]ethyl]-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)ethanamine;bis(pyridine) is sourced from PubChem (CID 157458399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).