3-pyridin-3-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methyl]aniline

C19H13F3N6O — CID 71569625

IUPAC3-pyridin-3-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methyl]aniline
SMILESFC(F)(F)c1nc(-c2cnc(CNc3cccc(-c4cccnc4)c3)nc2)no1
InChIInChI=1S/C19H13F3N6O/c20-19(21,22)18-27-17(28-29-18)14-9-25-16(26-10-14)11-24-15-5-1-3-12(7-15)13-4-2-6-23-8-13/h1-10,24H,11H2
InChIKeyKNFVZGICXWWSNU-UHFFFAOYSA-N
MW398.35 g/mol
LogP4.22
Rot. Bonds5

About 3-pyridin-3-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methyl]aniline

3-pyridin-3-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methyl]aniline (PubChem CID 71569625) has the molecular formula C19H13F3N6O and a molecular weight of 398.35 g/mol. Its IUPAC name is 3-pyridin-3-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methyl]aniline.

Molecular Properties

Compound Name3-pyridin-3-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methyl]aniline
PubChem CID71569625
Molecular FormulaC19H13F3N6O
Molecular Weight398.35 g/mol
Exact Mass398.11
IUPAC Name3-pyridin-3-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methyl]aniline
SMILESFC(F)(F)c1nc(-c2cnc(CNc3cccc(-c4cccnc4)c3)nc2)no1
InChIInChI=1S/C19H13F3N6O/c20-19(21,22)18-27-17(28-29-18)14-9-25-16(26-10-14)11-24-15-5-1-3-12(7-15)13-4-2-6-23-8-13/h1-10,24H,11H2
InChIKeyKNFVZGICXWWSNU-UHFFFAOYSA-N
XLogP4.22
TPSA89.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.35
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-pyridin-3-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methyl]aniline?
The IUPAC name of 3-pyridin-3-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methyl]aniline (CID 71569625) is 3-pyridin-3-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methyl]aniline.
What is the SMILES notation for 3-pyridin-3-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methyl]aniline?
The canonical SMILES for 3-pyridin-3-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methyl]aniline is FC(F)(F)c1nc(-c2cnc(CNc3cccc(-c4cccnc4)c3)nc2)no1.
What is the InChIKey of 3-pyridin-3-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methyl]aniline?
The InChIKey is KNFVZGICXWWSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N6O/c20-19(21,22)18-27-17(28-29-18)14-9-25-16(26-10-14)11-24-15-5-1-3-12(7-15)13-4-2-6-23-8-13/h1-10,24H,11H2.
What are the key properties of 3-pyridin-3-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methyl]aniline?
3-pyridin-3-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methyl]aniline has a molecular weight of 398.35 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methyl]aniline is sourced from PubChem (CID 71569625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).