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

C14H10F3N5O — CID 71577284

IUPACN-(pyridin-3-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine
SMILESFC(F)(F)c1nc(-c2ccc(NCc3cccnc3)nc2)no1
InChIInChI=1S/C14H10F3N5O/c15-14(16,17)13-21-12(22-23-13)10-3-4-11(20-8-10)19-7-9-2-1-5-18-6-9/h1-6,8H,7H2,(H,19,20)
InChIKeyWORDYPIFIVQAJD-UHFFFAOYSA-N
MW321.26 g/mol
LogP3.16
Rot. Bonds4

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

N-(pyridin-3-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine (PubChem CID 71577284) has the molecular formula C14H10F3N5O and a molecular weight of 321.26 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine
PubChem CID71577284
Molecular FormulaC14H10F3N5O
Molecular Weight321.26 g/mol
Exact Mass321.08
IUPAC NameN-(pyridin-3-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine
SMILESFC(F)(F)c1nc(-c2ccc(NCc3cccnc3)nc2)no1
InChIInChI=1S/C14H10F3N5O/c15-14(16,17)13-21-12(22-23-13)10-3-4-11(20-8-10)19-7-9-2-1-5-18-6-9/h1-6,8H,7H2,(H,19,20)
InChIKeyWORDYPIFIVQAJD-UHFFFAOYSA-N
XLogP3.16
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The IUPAC name of N-(pyridin-3-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine (CID 71577284) is N-(pyridin-3-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The canonical SMILES for N-(pyridin-3-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine is FC(F)(F)c1nc(-c2ccc(NCc3cccnc3)nc2)no1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The InChIKey is WORDYPIFIVQAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O/c15-14(16,17)13-21-12(22-23-13)10-3-4-11(20-8-10)19-7-9-2-1-5-18-6-9/h1-6,8H,7H2,(H,19,20).
What are the key properties of N-(pyridin-3-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
N-(pyridin-3-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine has a molecular weight of 321.26 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 71577284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).