3-(2,2-dipyridin-3-ylethyl)-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine

C24H19F3N4O — CID 16662984

IUPAC3-(2,2-dipyridin-3-ylethyl)-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
SMILESFC(F)(F)Oc1ccc(Nc2ncccc2CC(c2cccnc2)c2cccnc2)cc1
InChIInChI=1S/C24H19F3N4O/c25-24(26,27)32-21-9-7-20(8-10-21)31-23-17(4-3-13-30-23)14-22(18-5-1-11-28-15-18)19-6-2-12-29-16-19/h1-13,15-16,22H,14H2,(H,30,31)
InChIKeyRDMCNSGLOAAJFC-UHFFFAOYSA-N
MW436.44 g/mol
LogP5.89
Rot. Bonds7

About 3-(2,2-dipyridin-3-ylethyl)-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine

3-(2,2-dipyridin-3-ylethyl)-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine (PubChem CID 16662984) has the molecular formula C24H19F3N4O and a molecular weight of 436.44 g/mol. Its IUPAC name is 3-(2,2-dipyridin-3-ylethyl)-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name3-(2,2-dipyridin-3-ylethyl)-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
PubChem CID16662984
Molecular FormulaC24H19F3N4O
Molecular Weight436.44 g/mol
Exact Mass436.15
IUPAC Name3-(2,2-dipyridin-3-ylethyl)-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
SMILESFC(F)(F)Oc1ccc(Nc2ncccc2CC(c2cccnc2)c2cccnc2)cc1
InChIInChI=1S/C24H19F3N4O/c25-24(26,27)32-21-9-7-20(8-10-21)31-23-17(4-3-13-30-23)14-22(18-5-1-11-28-15-18)19-6-2-12-29-16-19/h1-13,15-16,22H,14H2,(H,30,31)
InChIKeyRDMCNSGLOAAJFC-UHFFFAOYSA-N
XLogP5.89
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.44
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dipyridin-3-ylethyl)-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine?
The IUPAC name of 3-(2,2-dipyridin-3-ylethyl)-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine (CID 16662984) is 3-(2,2-dipyridin-3-ylethyl)-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine.
What is the SMILES notation for 3-(2,2-dipyridin-3-ylethyl)-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine?
The canonical SMILES for 3-(2,2-dipyridin-3-ylethyl)-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine is FC(F)(F)Oc1ccc(Nc2ncccc2CC(c2cccnc2)c2cccnc2)cc1.
What is the InChIKey of 3-(2,2-dipyridin-3-ylethyl)-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine?
The InChIKey is RDMCNSGLOAAJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O/c25-24(26,27)32-21-9-7-20(8-10-21)31-23-17(4-3-13-30-23)14-22(18-5-1-11-28-15-18)19-6-2-12-29-16-19/h1-13,15-16,22H,14H2,(H,30,31).
What are the key properties of 3-(2,2-dipyridin-3-ylethyl)-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine?
3-(2,2-dipyridin-3-ylethyl)-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine has a molecular weight of 436.44 g/mol, XLogP of 5.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dipyridin-3-ylethyl)-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine is sourced from PubChem (CID 16662984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).