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

C20H14F3N5O — CID 53318517

IUPACN-(pyridin-4-ylmethyl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine
SMILESFC(F)(F)c1cccc(-c2nnc(-c3cccnc3NCc3ccncc3)o2)c1
InChIInChI=1S/C20H14F3N5O/c21-20(22,23)15-4-1-3-14(11-15)18-27-28-19(29-18)16-5-2-8-25-17(16)26-12-13-6-9-24-10-7-13/h1-11H,12H2,(H,25,26)
InChIKeyGZZWXCUEDHUIRN-UHFFFAOYSA-N
MW397.36 g/mol
LogP4.82
Rot. Bonds5

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

N-(pyridin-4-ylmethyl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine (PubChem CID 53318517) has the molecular formula C20H14F3N5O and a molecular weight of 397.36 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine
PubChem CID53318517
Molecular FormulaC20H14F3N5O
Molecular Weight397.36 g/mol
Exact Mass397.12
IUPAC NameN-(pyridin-4-ylmethyl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine
SMILESFC(F)(F)c1cccc(-c2nnc(-c3cccnc3NCc3ccncc3)o2)c1
InChIInChI=1S/C20H14F3N5O/c21-20(22,23)15-4-1-3-14(11-15)18-27-28-19(29-18)16-5-2-8-25-17(16)26-12-13-6-9-24-10-7-13/h1-11H,12H2,(H,25,26)
InChIKeyGZZWXCUEDHUIRN-UHFFFAOYSA-N
XLogP4.82
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.36
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
The IUPAC name of N-(pyridin-4-ylmethyl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine (CID 53318517) is N-(pyridin-4-ylmethyl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
The canonical SMILES for N-(pyridin-4-ylmethyl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine is FC(F)(F)c1cccc(-c2nnc(-c3cccnc3NCc3ccncc3)o2)c1.
What is the InChIKey of N-(pyridin-4-ylmethyl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
The InChIKey is GZZWXCUEDHUIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O/c21-20(22,23)15-4-1-3-14(11-15)18-27-28-19(29-18)16-5-2-8-25-17(16)26-12-13-6-9-24-10-7-13/h1-11H,12H2,(H,25,26).
What are the key properties of N-(pyridin-4-ylmethyl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
N-(pyridin-4-ylmethyl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine has a molecular weight of 397.36 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine is sourced from PubChem (CID 53318517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).