6-[2-[3-[4-(aminomethyl)cyclohexyl]propyl]-5-chloro-4-pyridinyl]-N-(pyridin-4-ylmethyl)pyridin-2-amine

C26H32ClN5 — CID 123952156

About 6-[2-[3-[4-(aminomethyl)cyclohexyl]propyl]-5-chloro-4-pyridinyl]-N-(pyridin-4-ylmethyl)pyridin-2-amine

6-[2-[3-[4-(aminomethyl)cyclohexyl]propyl]-5-chloro-4-pyridinyl]-N-(pyridin-4-ylmethyl)pyridin-2-amine (PubChem CID 123952156) has the molecular formula C26H32ClN5 and a molecular weight of 450.03 g/mol. Its IUPAC name is 6-[2-[3-[4-(aminomethyl)cyclohexyl]propyl]-5-chloro-4-pyridinyl]-N-(pyridin-4-ylmethyl)pyridin-2-amine.

Molecular Properties

• Compound Name: 6-[2-[3-[4-(aminomethyl)cyclohexyl]propyl]-5-chloro-4-pyridinyl]-N-(pyridin-4-ylmethyl)pyridin-2-amine
• PubChem CID: 123952156
• Molecular Formula: C26H32ClN5
• Molecular Weight: 450.03 g/mol
• Exact Mass: 449.23
• IUPAC Name: 6-[2-[3-[4-(aminomethyl)cyclohexyl]propyl]-5-chloro-4-pyridinyl]-N-(pyridin-4-ylmethyl)pyridin-2-amine
• SMILES: NCC1CCC(CCCc2cc(-c3cccc(NCc4ccncc4)n3)c(Cl)cn2)CC1
• InChI: InChI=1S/C26H32ClN5/c27-24-18-30-22(4-1-3-19-7-9-20(16-28)10-8-19)15-23(24)25-5-2-6-26(32-25)31-17-21-11-13-29-14-12-21/h2,5-6,11-15,18-20H,1,3-4,7-10,16-17,28H2,(H,31,32)
• InChIKey: VGLBDKHFEMVTFD-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 76.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.03
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-[4-(aminomethyl)cyclohexyl]propyl]-5-chloro-4-pyridinyl]-N-(pyridin-4-ylmethyl)pyridin-2-amine?

The IUPAC name of 6-[2-[3-[4-(aminomethyl)cyclohexyl]propyl]-5-chloro-4-pyridinyl]-N-(pyridin-4-ylmethyl)pyridin-2-amine (CID 123952156) is 6-[2-[3-[4-(aminomethyl)cyclohexyl]propyl]-5-chloro-4-pyridinyl]-N-(pyridin-4-ylmethyl)pyridin-2-amine.

What is the SMILES notation for 6-[2-[3-[4-(aminomethyl)cyclohexyl]propyl]-5-chloro-4-pyridinyl]-N-(pyridin-4-ylmethyl)pyridin-2-amine?

The canonical SMILES for 6-[2-[3-[4-(aminomethyl)cyclohexyl]propyl]-5-chloro-4-pyridinyl]-N-(pyridin-4-ylmethyl)pyridin-2-amine is NCC1CCC(CCCc2cc(-c3cccc(NCc4ccncc4)n3)c(Cl)cn2)CC1.

What is the InChIKey of 6-[2-[3-[4-(aminomethyl)cyclohexyl]propyl]-5-chloro-4-pyridinyl]-N-(pyridin-4-ylmethyl)pyridin-2-amine?

The InChIKey is VGLBDKHFEMVTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN5/c27-24-18-30-22(4-1-3-19-7-9-20(16-28)10-8-19)15-23(24)25-5-2-6-26(32-25)31-17-21-11-13-29-14-12-21/h2,5-6,11-15,18-20H,1,3-4,7-10,16-17,28H2,(H,31,32).

What are the key properties of 6-[2-[3-[4-(aminomethyl)cyclohexyl]propyl]-5-chloro-4-pyridinyl]-N-(pyridin-4-ylmethyl)pyridin-2-amine?

6-[2-[3-[4-(aminomethyl)cyclohexyl]propyl]-5-chloro-4-pyridinyl]-N-(pyridin-4-ylmethyl)pyridin-2-amine has a molecular weight of 450.03 g/mol, XLogP of 5.89, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[3-[4-(aminomethyl)cyclohexyl]propyl]-5-chloro-4-pyridinyl]-N-(pyridin-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 123952156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).