4-[1-phenyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]pyridine-2,3,6-triamine

C22H24F3N5 — CID 145371800

IUPAC4-[1-phenyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]pyridine-2,3,6-triamine
SMILESNc1cc(C(CCNCc2ccc(C(F)(F)F)cc2)c2ccccc2)c(N)c(N)n1
InChIInChI=1S/C22H24F3N5/c23-22(24,25)16-8-6-14(7-9-16)13-29-11-10-17(15-4-2-1-3-5-15)18-12-19(26)30-21(28)20(18)27/h1-9,12,17,29H,10-11,13,27H2,(H4,26,28,30)
InChIKeyGUTQSXYSGFQTDO-UHFFFAOYSA-N
MW415.46 g/mol
LogP4.16
Rot. Bonds7

About 4-[1-phenyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]pyridine-2,3,6-triamine

4-[1-phenyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]pyridine-2,3,6-triamine (PubChem CID 145371800) has the molecular formula C22H24F3N5 and a molecular weight of 415.46 g/mol. Its IUPAC name is 4-[1-phenyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]pyridine-2,3,6-triamine.

Molecular Properties

Compound Name4-[1-phenyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]pyridine-2,3,6-triamine
PubChem CID145371800
Molecular FormulaC22H24F3N5
Molecular Weight415.46 g/mol
Exact Mass415.20
IUPAC Name4-[1-phenyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]pyridine-2,3,6-triamine
SMILESNc1cc(C(CCNCc2ccc(C(F)(F)F)cc2)c2ccccc2)c(N)c(N)n1
InChIInChI=1S/C22H24F3N5/c23-22(24,25)16-8-6-14(7-9-16)13-29-11-10-17(15-4-2-1-3-5-15)18-12-19(26)30-21(28)20(18)27/h1-9,12,17,29H,10-11,13,27H2,(H4,26,28,30)
InChIKeyGUTQSXYSGFQTDO-UHFFFAOYSA-N
XLogP4.16
TPSA102.98 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 54.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-phenyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]pyridine-2,3,6-triamine?
The IUPAC name of 4-[1-phenyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]pyridine-2,3,6-triamine (CID 145371800) is 4-[1-phenyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]pyridine-2,3,6-triamine.
What is the SMILES notation for 4-[1-phenyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]pyridine-2,3,6-triamine?
The canonical SMILES for 4-[1-phenyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]pyridine-2,3,6-triamine is Nc1cc(C(CCNCc2ccc(C(F)(F)F)cc2)c2ccccc2)c(N)c(N)n1.
What is the InChIKey of 4-[1-phenyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]pyridine-2,3,6-triamine?
The InChIKey is GUTQSXYSGFQTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5/c23-22(24,25)16-8-6-14(7-9-16)13-29-11-10-17(15-4-2-1-3-5-15)18-12-19(26)30-21(28)20(18)27/h1-9,12,17,29H,10-11,13,27H2,(H4,26,28,30).
What are the key properties of 4-[1-phenyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]pyridine-2,3,6-triamine?
4-[1-phenyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]pyridine-2,3,6-triamine has a molecular weight of 415.46 g/mol, XLogP of 4.16, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-phenyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]pyridine-2,3,6-triamine is sourced from PubChem (CID 145371800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).