6-[[(6-amino-2-pyridinyl)methyl-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]amino]methyl]pyridin-2-amine

C32H34N8 — CID 44598597

About 6-[[(6-amino-2-pyridinyl)methyl-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]amino]methyl]pyridin-2-amine

6-[[(6-amino-2-pyridinyl)methyl-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]amino]methyl]pyridin-2-amine (PubChem CID 44598597) has the molecular formula C32H34N8 and a molecular weight of 530.68 g/mol. Its IUPAC name is 6-[[(6-amino-2-pyridinyl)methyl-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]amino]methyl]pyridin-2-amine.

Molecular Properties

• Compound Name: 6-[[(6-amino-2-pyridinyl)methyl-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]amino]methyl]pyridin-2-amine
• PubChem CID: 44598597
• Molecular Formula: C32H34N8
• Molecular Weight: 530.68 g/mol
• Exact Mass: 530.29
• IUPAC Name: 6-[[(6-amino-2-pyridinyl)methyl-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]amino]methyl]pyridin-2-amine
• SMILES: Nc1cccc(CN(Cc2cccc(CN(Cc3ccccn3)Cc3ccccn3)c2)Cc2cccc(N)n2)n1
• InChI: InChI=1S/C32H34N8/c33-31-14-6-12-29(37-31)23-40(24-30-13-7-15-32(34)38-30)20-26-9-5-8-25(18-26)19-39(21-27-10-1-3-16-35-27)22-28-11-2-4-17-36-28/h1-18H,19-24H2,(H2,33,37)(H2,34,38)
• InChIKey: RGABTMMNTFRREX-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 110.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.68
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[[(6-amino-2-pyridinyl)methyl-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]amino]methyl]pyridin-2-amine?

The IUPAC name of 6-[[(6-amino-2-pyridinyl)methyl-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]amino]methyl]pyridin-2-amine (CID 44598597) is 6-[[(6-amino-2-pyridinyl)methyl-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]amino]methyl]pyridin-2-amine.

What is the SMILES notation for 6-[[(6-amino-2-pyridinyl)methyl-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]amino]methyl]pyridin-2-amine?

The canonical SMILES for 6-[[(6-amino-2-pyridinyl)methyl-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]amino]methyl]pyridin-2-amine is Nc1cccc(CN(Cc2cccc(CN(Cc3ccccn3)Cc3ccccn3)c2)Cc2cccc(N)n2)n1.

What is the InChIKey of 6-[[(6-amino-2-pyridinyl)methyl-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]amino]methyl]pyridin-2-amine?

The InChIKey is RGABTMMNTFRREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N8/c33-31-14-6-12-29(37-31)23-40(24-30-13-7-15-32(34)38-30)20-26-9-5-8-25(18-26)19-39(21-27-10-1-3-16-35-27)22-28-11-2-4-17-36-28/h1-18H,19-24H2,(H2,33,37)(H2,34,38).

What are the key properties of 6-[[(6-amino-2-pyridinyl)methyl-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]amino]methyl]pyridin-2-amine?

6-[[(6-amino-2-pyridinyl)methyl-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]amino]methyl]pyridin-2-amine has a molecular weight of 530.68 g/mol, XLogP of 4.84, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[(6-amino-2-pyridinyl)methyl-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]amino]methyl]pyridin-2-amine is sourced from PubChem (CID 44598597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).