5-(4-methylphenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine

C33H36N6 — CID 56592282

About 5-(4-methylphenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine

5-(4-methylphenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine (PubChem CID 56592282) has the molecular formula C33H36N6 and a molecular weight of 516.69 g/mol. Its IUPAC name is 5-(4-methylphenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine.

Molecular Properties

• Compound Name: 5-(4-methylphenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine
• PubChem CID: 56592282
• Molecular Formula: C33H36N6
• Molecular Weight: 516.69 g/mol
• Exact Mass: 516.30
• IUPAC Name: 5-(4-methylphenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine
• SMILES: Cc1ccc(-n2c3c/c(=N\C4CCN(CC(C)C)CC4)c(Nc4cccnc4)cc-3nc3ccccc32)cc1
• InChI: InChI=1S/C33H36N6/c1-23(2)22-38-17-14-25(15-18-38)35-30-20-33-31(19-29(30)36-26-7-6-16-34-21-26)37-28-8-4-5-9-32(28)39(33)27-12-10-24(3)11-13-27/h4-13,16,19-21,23,25,36H,14-15,17-18,22H2,1-3H3/b35-30+
• InChIKey: NPBDJLRVCNEDMT-WUZYOQQESA-N
• XLogP: 6.60
• TPSA: 58.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.69
LogP ≤ 5	6.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine?

The IUPAC name of 5-(4-methylphenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine (CID 56592282) is 5-(4-methylphenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine.

What is the SMILES notation for 5-(4-methylphenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine?

The canonical SMILES for 5-(4-methylphenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine is Cc1ccc(-n2c3c/c(=N\C4CCN(CC(C)C)CC4)c(Nc4cccnc4)cc-3nc3ccccc32)cc1.

What is the InChIKey of 5-(4-methylphenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine?

The InChIKey is NPBDJLRVCNEDMT-WUZYOQQESA-N. The full InChI is InChI=1S/C33H36N6/c1-23(2)22-38-17-14-25(15-18-38)35-30-20-33-31(19-29(30)36-26-7-6-16-34-21-26)37-28-8-4-5-9-32(28)39(33)27-12-10-24(3)11-13-27/h4-13,16,19-21,23,25,36H,14-15,17-18,22H2,1-3H3/b35-30+.

What are the key properties of 5-(4-methylphenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine?

5-(4-methylphenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine has a molecular weight of 516.69 g/mol, XLogP of 6.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-methylphenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine is sourced from PubChem (CID 56592282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).