3-(3,4-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine

C₂₃H₂₆N₄O₂ — CID 118392566

About 3-(3,4-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine

3-(3,4-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine (PubChem CID 118392566) has the molecular formula C₂₃H₂₆N₄O₂ and a molecular weight of 390.49 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine.

Molecular Properties

• Compound Name: 3-(3,4-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
• PubChem CID: 118392566
• Molecular Formula: C₂₃H₂₆N₄O₂
• Molecular Weight: 390.49 g/mol
• Exact Mass: 390.21
• IUPAC Name: 3-(3,4-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
• SMILES: COc1ccc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)cc1OC
• InChI: InChI=1S/C23H26N4O2/c1-28-21-8-5-17(14-22(21)29-2)20-13-18(15-26-23(20)24)16-3-6-19(7-4-16)27-11-9-25-10-12-27/h3-8,13-15,25H,9-12H2,1-2H3,(H2,24,26)
• InChIKey: YDGAIFLOOACQIQ-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 72.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.49
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine?

The IUPAC name of 3-(3,4-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine (CID 118392566) is 3-(3,4-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine.

What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine?

The canonical SMILES for 3-(3,4-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine is COc1ccc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)cc1OC.

What is the InChIKey of 3-(3,4-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine?

The InChIKey is YDGAIFLOOACQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-28-21-8-5-17(14-22(21)29-2)20-13-18(15-26-23(20)24)16-3-6-19(7-4-16)27-11-9-25-10-12-27/h3-8,13-15,25H,9-12H2,1-2H3,(H2,24,26).

What are the key properties of 3-(3,4-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine?

3-(3,4-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine has a molecular weight of 390.49 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3,4-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 118392566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118392566 — identifiers, structure, computed properties (public domain)

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