3-cyclohexylimino-N-(2-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]phenazin-2-amine

C31H28F3N5O2 — CID 66806291

About 3-cyclohexylimino-N-(2-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]phenazin-2-amine

3-cyclohexylimino-N-(2-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]phenazin-2-amine (PubChem CID 66806291) has the molecular formula C31H28F3N5O2 and a molecular weight of 559.59 g/mol. Its IUPAC name is 3-cyclohexylimino-N-(2-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]phenazin-2-amine.

Molecular Properties

• Compound Name: 3-cyclohexylimino-N-(2-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]phenazin-2-amine
• PubChem CID: 66806291
• Molecular Formula: C31H28F3N5O2
• Molecular Weight: 559.59 g/mol
• Exact Mass: 559.22
• IUPAC Name: 3-cyclohexylimino-N-(2-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]phenazin-2-amine
• SMILES: COc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(OC(F)(F)F)cc3)c-2c/c1=N\C1CCCCC1
• InChI: InChI=1S/C31H28F3N5O2/c1-40-30-24(11-7-17-35-30)38-25-18-27-29(19-26(25)36-20-8-3-2-4-9-20)39(28-12-6-5-10-23(28)37-27)21-13-15-22(16-14-21)41-31(32,33)34/h5-7,10-20,38H,2-4,8-9H2,1H3/b36-26+
• InChIKey: MUKSAMXTPZLTOZ-LZBRRTOVSA-N
• XLogP: 7.41
• TPSA: 73.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.59
LogP ≤ 5	7.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylimino-N-(2-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]phenazin-2-amine?

The IUPAC name of 3-cyclohexylimino-N-(2-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]phenazin-2-amine (CID 66806291) is 3-cyclohexylimino-N-(2-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]phenazin-2-amine.

What is the SMILES notation for 3-cyclohexylimino-N-(2-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]phenazin-2-amine?

The canonical SMILES for 3-cyclohexylimino-N-(2-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]phenazin-2-amine is COc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(OC(F)(F)F)cc3)c-2c/c1=N\C1CCCCC1.

What is the InChIKey of 3-cyclohexylimino-N-(2-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]phenazin-2-amine?

The InChIKey is MUKSAMXTPZLTOZ-LZBRRTOVSA-N. The full InChI is InChI=1S/C31H28F3N5O2/c1-40-30-24(11-7-17-35-30)38-25-18-27-29(19-26(25)36-20-8-3-2-4-9-20)39(28-12-6-5-10-23(28)37-27)21-13-15-22(16-14-21)41-31(32,33)34/h5-7,10-20,38H,2-4,8-9H2,1H3/b36-26+.

What are the key properties of 3-cyclohexylimino-N-(2-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]phenazin-2-amine?

3-cyclohexylimino-N-(2-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]phenazin-2-amine has a molecular weight of 559.59 g/mol, XLogP of 7.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclohexylimino-N-(2-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]phenazin-2-amine is sourced from PubChem (CID 66806291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).