3-chloro-N-(pyridin-2-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine

C14H9ClF3N5O — CID 71577375

IUPAC3-chloro-N-(pyridin-2-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine
SMILESFC(F)(F)c1nc(-c2cnc(NCc3ccccn3)c(Cl)c2)no1
InChIInChI=1S/C14H9ClF3N5O/c15-10-5-8(11-22-13(24-23-11)14(16,17)18)6-20-12(10)21-7-9-3-1-2-4-19-9/h1-6H,7H2,(H,20,21)
InChIKeyQHGRPFQQBLEIQD-UHFFFAOYSA-N
MW355.71 g/mol
LogP3.81
Rot. Bonds4

About 3-chloro-N-(pyridin-2-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine

3-chloro-N-(pyridin-2-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine (PubChem CID 71577375) has the molecular formula C14H9ClF3N5O and a molecular weight of 355.71 g/mol. Its IUPAC name is 3-chloro-N-(pyridin-2-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(pyridin-2-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine
PubChem CID71577375
Molecular FormulaC14H9ClF3N5O
Molecular Weight355.71 g/mol
Exact Mass355.04
IUPAC Name3-chloro-N-(pyridin-2-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine
SMILESFC(F)(F)c1nc(-c2cnc(NCc3ccccn3)c(Cl)c2)no1
InChIInChI=1S/C14H9ClF3N5O/c15-10-5-8(11-22-13(24-23-11)14(16,17)18)6-20-12(10)21-7-9-3-1-2-4-19-9/h1-6H,7H2,(H,20,21)
InChIKeyQHGRPFQQBLEIQD-UHFFFAOYSA-N
XLogP3.81
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.71
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(pyridin-2-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The IUPAC name of 3-chloro-N-(pyridin-2-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine (CID 71577375) is 3-chloro-N-(pyridin-2-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(pyridin-2-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The canonical SMILES for 3-chloro-N-(pyridin-2-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine is FC(F)(F)c1nc(-c2cnc(NCc3ccccn3)c(Cl)c2)no1.
What is the InChIKey of 3-chloro-N-(pyridin-2-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The InChIKey is QHGRPFQQBLEIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3N5O/c15-10-5-8(11-22-13(24-23-11)14(16,17)18)6-20-12(10)21-7-9-3-1-2-4-19-9/h1-6H,7H2,(H,20,21).
What are the key properties of 3-chloro-N-(pyridin-2-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
3-chloro-N-(pyridin-2-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine has a molecular weight of 355.71 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(pyridin-2-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 71577375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).