6-[3-(2-aminoethyl)phenyl]-4-phenyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine

C25H21F3N4 — CID 56948135

IUPAC6-[3-(2-aminoethyl)phenyl]-4-phenyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
SMILESNCCc1cccc(-c2cc(-c3ccccc3)cc(Nc3cc(C(F)(F)F)ccn3)n2)c1
InChIInChI=1S/C25H21F3N4/c26-25(27,28)21-10-12-30-23(16-21)32-24-15-20(18-6-2-1-3-7-18)14-22(31-24)19-8-4-5-17(13-19)9-11-29/h1-8,10,12-16H,9,11,29H2,(H,30,31,32)
InChIKeyGAYWHMBBQXTHCJ-UHFFFAOYSA-N
MW434.47 g/mol
LogP6.07
Rot. Bonds6

About 6-[3-(2-aminoethyl)phenyl]-4-phenyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine

6-[3-(2-aminoethyl)phenyl]-4-phenyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine (PubChem CID 56948135) has the molecular formula C25H21F3N4 and a molecular weight of 434.47 g/mol. Its IUPAC name is 6-[3-(2-aminoethyl)phenyl]-4-phenyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[3-(2-aminoethyl)phenyl]-4-phenyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
PubChem CID56948135
Molecular FormulaC25H21F3N4
Molecular Weight434.47 g/mol
Exact Mass434.17
IUPAC Name6-[3-(2-aminoethyl)phenyl]-4-phenyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
SMILESNCCc1cccc(-c2cc(-c3ccccc3)cc(Nc3cc(C(F)(F)F)ccn3)n2)c1
InChIInChI=1S/C25H21F3N4/c26-25(27,28)21-10-12-30-23(16-21)32-24-15-20(18-6-2-1-3-7-18)14-22(31-24)19-8-4-5-17(13-19)9-11-29/h1-8,10,12-16H,9,11,29H2,(H,30,31,32)
InChIKeyGAYWHMBBQXTHCJ-UHFFFAOYSA-N
XLogP6.07
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.47
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-aminoethyl)phenyl]-4-phenyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The IUPAC name of 6-[3-(2-aminoethyl)phenyl]-4-phenyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine (CID 56948135) is 6-[3-(2-aminoethyl)phenyl]-4-phenyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 6-[3-(2-aminoethyl)phenyl]-4-phenyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for 6-[3-(2-aminoethyl)phenyl]-4-phenyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine is NCCc1cccc(-c2cc(-c3ccccc3)cc(Nc3cc(C(F)(F)F)ccn3)n2)c1.
What is the InChIKey of 6-[3-(2-aminoethyl)phenyl]-4-phenyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The InChIKey is GAYWHMBBQXTHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N4/c26-25(27,28)21-10-12-30-23(16-21)32-24-15-20(18-6-2-1-3-7-18)14-22(31-24)19-8-4-5-17(13-19)9-11-29/h1-8,10,12-16H,9,11,29H2,(H,30,31,32).
What are the key properties of 6-[3-(2-aminoethyl)phenyl]-4-phenyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
6-[3-(2-aminoethyl)phenyl]-4-phenyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine has a molecular weight of 434.47 g/mol, XLogP of 6.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-aminoethyl)phenyl]-4-phenyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 56948135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).