N-(2-methyl-3-pyridinyl)-3-(2-morpholin-4-ylethylimino)-5-[4-(trifluoromethoxy)phenyl]phenazin-2-amine

C31H29F3N6O2 — CID 66805968

About N-(2-methyl-3-pyridinyl)-3-(2-morpholin-4-ylethylimino)-5-[4-(trifluoromethoxy)phenyl]phenazin-2-amine

N-(2-methyl-3-pyridinyl)-3-(2-morpholin-4-ylethylimino)-5-[4-(trifluoromethoxy)phenyl]phenazin-2-amine (PubChem CID 66805968) has the molecular formula C31H29F3N6O2 and a molecular weight of 574.61 g/mol. Its IUPAC name is N-(2-methyl-3-pyridinyl)-3-(2-morpholin-4-ylethylimino)-5-[4-(trifluoromethoxy)phenyl]phenazin-2-amine.

Molecular Properties

• Compound Name: N-(2-methyl-3-pyridinyl)-3-(2-morpholin-4-ylethylimino)-5-[4-(trifluoromethoxy)phenyl]phenazin-2-amine
• PubChem CID: 66805968
• Molecular Formula: C31H29F3N6O2
• Molecular Weight: 574.61 g/mol
• Exact Mass: 574.23
• IUPAC Name: N-(2-methyl-3-pyridinyl)-3-(2-morpholin-4-ylethylimino)-5-[4-(trifluoromethoxy)phenyl]phenazin-2-amine
• SMILES: Cc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(OC(F)(F)F)cc3)c-2c/c1=N\CCN1CCOCC1
• InChI: InChI=1S/C31H29F3N6O2/c1-21-24(6-4-12-35-21)37-27-19-28-30(20-26(27)36-13-14-39-15-17-41-18-16-39)40(29-7-3-2-5-25(29)38-28)22-8-10-23(11-9-22)42-31(32,33)34/h2-12,19-20,37H,13-18H2,1H3/b36-26+
• InChIKey: YKZGLQBGADDULO-LZBRRTOVSA-N
• XLogP: 5.71
• TPSA: 76.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.61
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-(2-methyl-3-pyridinyl)-3-(2-morpholin-4-ylethylimino)-5-[4-(trifluoromethoxy)phenyl]phenazin-2-amine (CID 66805968) is N-(2-methyl-3-pyridinyl)-3-(2-morpholin-4-ylethylimino)-5-[4-(trifluoromethoxy)phenyl]phenazin-2-amine.

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

The canonical SMILES for N-(2-methyl-3-pyridinyl)-3-(2-morpholin-4-ylethylimino)-5-[4-(trifluoromethoxy)phenyl]phenazin-2-amine is Cc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(OC(F)(F)F)cc3)c-2c/c1=N\CCN1CCOCC1.

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

The InChIKey is YKZGLQBGADDULO-LZBRRTOVSA-N. The full InChI is InChI=1S/C31H29F3N6O2/c1-21-24(6-4-12-35-21)37-27-19-28-30(20-26(27)36-13-14-39-15-17-41-18-16-39)40(29-7-3-2-5-25(29)38-28)22-8-10-23(11-9-22)42-31(32,33)34/h2-12,19-20,37H,13-18H2,1H3/b36-26+.

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

N-(2-methyl-3-pyridinyl)-3-(2-morpholin-4-ylethylimino)-5-[4-(trifluoromethoxy)phenyl]phenazin-2-amine has a molecular weight of 574.61 g/mol, XLogP of 5.71, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methyl-3-pyridinyl)-3-(2-morpholin-4-ylethylimino)-5-[4-(trifluoromethoxy)phenyl]phenazin-2-amine is sourced from PubChem (CID 66805968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).