5-pyridin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-amine

C18H14F3N3 — CID 126469637

IUPAC5-pyridin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-amine
SMILESFC(F)(F)c1cccc(CNc2ccc(-c3cccnc3)cn2)c1
InChIInChI=1S/C18H14F3N3/c19-18(20,21)16-5-1-3-13(9-16)10-23-17-7-6-15(12-24-17)14-4-2-8-22-11-14/h1-9,11-12H,10H2,(H,23,24)
InChIKeyXONGTGLCTGMHIL-UHFFFAOYSA-N
MW329.33 g/mol
LogP4.77
Rot. Bonds4

About 5-pyridin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-amine

5-pyridin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-amine (PubChem CID 126469637) has the molecular formula C18H14F3N3 and a molecular weight of 329.33 g/mol. Its IUPAC name is 5-pyridin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-pyridin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-amine
PubChem CID126469637
Molecular FormulaC18H14F3N3
Molecular Weight329.33 g/mol
Exact Mass329.11
IUPAC Name5-pyridin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-amine
SMILESFC(F)(F)c1cccc(CNc2ccc(-c3cccnc3)cn2)c1
InChIInChI=1S/C18H14F3N3/c19-18(20,21)16-5-1-3-13(9-16)10-23-17-7-6-15(12-24-17)14-4-2-8-22-11-14/h1-9,11-12H,10H2,(H,23,24)
InChIKeyXONGTGLCTGMHIL-UHFFFAOYSA-N
XLogP4.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-amine?
The IUPAC name of 5-pyridin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-amine (CID 126469637) is 5-pyridin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-amine.
What is the SMILES notation for 5-pyridin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-amine?
The canonical SMILES for 5-pyridin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-amine is FC(F)(F)c1cccc(CNc2ccc(-c3cccnc3)cn2)c1.
What is the InChIKey of 5-pyridin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-amine?
The InChIKey is XONGTGLCTGMHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3/c19-18(20,21)16-5-1-3-13(9-16)10-23-17-7-6-15(12-24-17)14-4-2-8-22-11-14/h1-9,11-12H,10H2,(H,23,24).
What are the key properties of 5-pyridin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-amine?
5-pyridin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-amine has a molecular weight of 329.33 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-amine is sourced from PubChem (CID 126469637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).