2-N,4-N-dibenzyl-6-(trifluoromethyl)pyridine-2,3,4-triamine

C20H19F3N4 — CID 67456850

IUPAC2-N,4-N-dibenzyl-6-(trifluoromethyl)pyridine-2,3,4-triamine
SMILESNc1c(NCc2ccccc2)cc(C(F)(F)F)nc1NCc1ccccc1
InChIInChI=1S/C20H19F3N4/c21-20(22,23)17-11-16(25-12-14-7-3-1-4-8-14)18(24)19(27-17)26-13-15-9-5-2-6-10-15/h1-11H,12-13,24H2,(H2,25,26,27)
InChIKeyMAKQUFSGRSJVQO-UHFFFAOYSA-N
MW372.39 g/mol
LogP4.91
Rot. Bonds6

About 2-N,4-N-dibenzyl-6-(trifluoromethyl)pyridine-2,3,4-triamine

2-N,4-N-dibenzyl-6-(trifluoromethyl)pyridine-2,3,4-triamine (PubChem CID 67456850) has the molecular formula C20H19F3N4 and a molecular weight of 372.39 g/mol. Its IUPAC name is 2-N,4-N-dibenzyl-6-(trifluoromethyl)pyridine-2,3,4-triamine.

Molecular Properties

Compound Name2-N,4-N-dibenzyl-6-(trifluoromethyl)pyridine-2,3,4-triamine
PubChem CID67456850
Molecular FormulaC20H19F3N4
Molecular Weight372.39 g/mol
Exact Mass372.16
IUPAC Name2-N,4-N-dibenzyl-6-(trifluoromethyl)pyridine-2,3,4-triamine
SMILESNc1c(NCc2ccccc2)cc(C(F)(F)F)nc1NCc1ccccc1
InChIInChI=1S/C20H19F3N4/c21-20(22,23)17-11-16(25-12-14-7-3-1-4-8-14)18(24)19(27-17)26-13-15-9-5-2-6-10-15/h1-11H,12-13,24H2,(H2,25,26,27)
InChIKeyMAKQUFSGRSJVQO-UHFFFAOYSA-N
XLogP4.91
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dibenzyl-6-(trifluoromethyl)pyridine-2,3,4-triamine?
The IUPAC name of 2-N,4-N-dibenzyl-6-(trifluoromethyl)pyridine-2,3,4-triamine (CID 67456850) is 2-N,4-N-dibenzyl-6-(trifluoromethyl)pyridine-2,3,4-triamine.
What is the SMILES notation for 2-N,4-N-dibenzyl-6-(trifluoromethyl)pyridine-2,3,4-triamine?
The canonical SMILES for 2-N,4-N-dibenzyl-6-(trifluoromethyl)pyridine-2,3,4-triamine is Nc1c(NCc2ccccc2)cc(C(F)(F)F)nc1NCc1ccccc1.
What is the InChIKey of 2-N,4-N-dibenzyl-6-(trifluoromethyl)pyridine-2,3,4-triamine?
The InChIKey is MAKQUFSGRSJVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4/c21-20(22,23)17-11-16(25-12-14-7-3-1-4-8-14)18(24)19(27-17)26-13-15-9-5-2-6-10-15/h1-11H,12-13,24H2,(H2,25,26,27).
What are the key properties of 2-N,4-N-dibenzyl-6-(trifluoromethyl)pyridine-2,3,4-triamine?
2-N,4-N-dibenzyl-6-(trifluoromethyl)pyridine-2,3,4-triamine has a molecular weight of 372.39 g/mol, XLogP of 4.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dibenzyl-6-(trifluoromethyl)pyridine-2,3,4-triamine is sourced from PubChem (CID 67456850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).