(Z)-2-(N-amino-2-fluoroanilino)-1-[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-4-ylethenamine

C21H15F3N6O — CID 135245945

IUPAC(Z)-2-(N-amino-2-fluoroanilino)-1-[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-4-ylethenamine
SMILESN/C(=C(/c1ccncc1)N(N)c1ccccc1F)c1nc(-c2c(F)cccc2F)no1
InChIInChI=1S/C21H15F3N6O/c22-13-4-1-2-7-16(13)30(26)19(12-8-10-27-11-9-12)18(25)21-28-20(29-31-21)17-14(23)5-3-6-15(17)24/h1-11H,25-26H2/b19-18-
InChIKeyWJUODZAUSFVHPC-HNENSFHCSA-N
MW424.39 g/mol
LogP3.71
Rot. Bonds5

About (Z)-2-(N-amino-2-fluoroanilino)-1-[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-4-ylethenamine

(Z)-2-(N-amino-2-fluoroanilino)-1-[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-4-ylethenamine (PubChem CID 135245945) has the molecular formula C21H15F3N6O and a molecular weight of 424.39 g/mol. Its IUPAC name is (Z)-2-(N-amino-2-fluoroanilino)-1-[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-4-ylethenamine.

Molecular Properties

Compound Name(Z)-2-(N-amino-2-fluoroanilino)-1-[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-4-ylethenamine
PubChem CID135245945
Molecular FormulaC21H15F3N6O
Molecular Weight424.39 g/mol
Exact Mass424.13
IUPAC Name(Z)-2-(N-amino-2-fluoroanilino)-1-[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-4-ylethenamine
SMILESN/C(=C(/c1ccncc1)N(N)c1ccccc1F)c1nc(-c2c(F)cccc2F)no1
InChIInChI=1S/C21H15F3N6O/c22-13-4-1-2-7-16(13)30(26)19(12-8-10-27-11-9-12)18(25)21-28-20(29-31-21)17-14(23)5-3-6-15(17)24/h1-11H,25-26H2/b19-18-
InChIKeyWJUODZAUSFVHPC-HNENSFHCSA-N
XLogP3.71
TPSA107.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.39
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(N-amino-2-fluoroanilino)-1-[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-4-ylethenamine?
The IUPAC name of (Z)-2-(N-amino-2-fluoroanilino)-1-[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-4-ylethenamine (CID 135245945) is (Z)-2-(N-amino-2-fluoroanilino)-1-[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-4-ylethenamine.
What is the SMILES notation for (Z)-2-(N-amino-2-fluoroanilino)-1-[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-4-ylethenamine?
The canonical SMILES for (Z)-2-(N-amino-2-fluoroanilino)-1-[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-4-ylethenamine is N/C(=C(/c1ccncc1)N(N)c1ccccc1F)c1nc(-c2c(F)cccc2F)no1.
What is the InChIKey of (Z)-2-(N-amino-2-fluoroanilino)-1-[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-4-ylethenamine?
The InChIKey is WJUODZAUSFVHPC-HNENSFHCSA-N. The full InChI is InChI=1S/C21H15F3N6O/c22-13-4-1-2-7-16(13)30(26)19(12-8-10-27-11-9-12)18(25)21-28-20(29-31-21)17-14(23)5-3-6-15(17)24/h1-11H,25-26H2/b19-18-.
What are the key properties of (Z)-2-(N-amino-2-fluoroanilino)-1-[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-4-ylethenamine?
(Z)-2-(N-amino-2-fluoroanilino)-1-[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-4-ylethenamine has a molecular weight of 424.39 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(N-amino-2-fluoroanilino)-1-[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-4-ylethenamine is sourced from PubChem (CID 135245945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).