N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine

C30H30N8 — CID 102272513

About N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine

N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 102272513) has the molecular formula C30H30N8 and a molecular weight of 502.63 g/mol. Its IUPAC name is N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

• Compound Name: N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
• PubChem CID: 102272513
• Molecular Formula: C30H30N8
• Molecular Weight: 502.63 g/mol
• Exact Mass: 502.26
• IUPAC Name: N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
• SMILES: c1ccc(CN(Cc2ccccn2)Cc2nccnc2CN(Cc2ccccn2)Cc2ccccn2)nc1
• InChI: InChI=1S/C30H30N8/c1-5-13-31-25(9-1)19-37(20-26-10-2-6-14-32-26)23-29-30(36-18-17-35-29)24-38(21-27-11-3-7-15-33-27)22-28-12-4-8-16-34-28/h1-18H,19-24H2
• InChIKey: YJFSTDIFLJFNSD-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 83.82 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.63
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?

The IUPAC name of N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine (CID 102272513) is N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine.

What is the SMILES notation for N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?

The canonical SMILES for N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine is c1ccc(CN(Cc2ccccn2)Cc2nccnc2CN(Cc2ccccn2)Cc2ccccn2)nc1.

What is the InChIKey of N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?

The InChIKey is YJFSTDIFLJFNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N8/c1-5-13-31-25(9-1)19-37(20-26-10-2-6-14-32-26)23-29-30(36-18-17-35-29)24-38(21-27-11-3-7-15-33-27)22-28-12-4-8-16-34-28/h1-18H,19-24H2.

What are the key properties of N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?

N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 502.63 g/mol, XLogP of 4.46, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 102272513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).