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

C21H16F2N6O — CID 135245885

IUPAC(Z)-2-(N-amino-2-fluoroanilino)-1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-4-ylethenamine
SMILESN/C(=C(/c1ccncc1)N(N)c1ccccc1F)c1nc(-c2ccccc2F)no1
InChIInChI=1S/C21H16F2N6O/c22-15-6-2-1-5-14(15)20-27-21(30-28-20)18(24)19(13-9-11-26-12-10-13)29(25)17-8-4-3-7-16(17)23/h1-12H,24-25H2/b19-18-
InChIKeyFEZGOBPBYCTKJL-HNENSFHCSA-N
MW406.40 g/mol
LogP3.57
Rot. Bonds5

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

(Z)-2-(N-amino-2-fluoroanilino)-1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-4-ylethenamine (PubChem CID 135245885) has the molecular formula C21H16F2N6O and a molecular weight of 406.40 g/mol. Its IUPAC name is (Z)-2-(N-amino-2-fluoroanilino)-1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-4-ylethenamine.

Molecular Properties

Compound Name(Z)-2-(N-amino-2-fluoroanilino)-1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-4-ylethenamine
PubChem CID135245885
Molecular FormulaC21H16F2N6O
Molecular Weight406.40 g/mol
Exact Mass406.14
IUPAC Name(Z)-2-(N-amino-2-fluoroanilino)-1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-4-ylethenamine
SMILESN/C(=C(/c1ccncc1)N(N)c1ccccc1F)c1nc(-c2ccccc2F)no1
InChIInChI=1S/C21H16F2N6O/c22-15-6-2-1-5-14(15)20-27-21(30-28-20)18(24)19(13-9-11-26-12-10-13)29(25)17-8-4-3-7-16(17)23/h1-12H,24-25H2/b19-18-
InChIKeyFEZGOBPBYCTKJL-HNENSFHCSA-N
XLogP3.57
TPSA107.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 53.57
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-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-4-ylethenamine?
The IUPAC name of (Z)-2-(N-amino-2-fluoroanilino)-1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-4-ylethenamine (CID 135245885) is (Z)-2-(N-amino-2-fluoroanilino)-1-[3-(2-fluorophenyl)-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-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-4-ylethenamine?
The canonical SMILES for (Z)-2-(N-amino-2-fluoroanilino)-1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-4-ylethenamine is N/C(=C(/c1ccncc1)N(N)c1ccccc1F)c1nc(-c2ccccc2F)no1.
What is the InChIKey of (Z)-2-(N-amino-2-fluoroanilino)-1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-4-ylethenamine?
The InChIKey is FEZGOBPBYCTKJL-HNENSFHCSA-N. The full InChI is InChI=1S/C21H16F2N6O/c22-15-6-2-1-5-14(15)20-27-21(30-28-20)18(24)19(13-9-11-26-12-10-13)29(25)17-8-4-3-7-16(17)23/h1-12H,24-25H2/b19-18-.
What are the key properties of (Z)-2-(N-amino-2-fluoroanilino)-1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-4-ylethenamine?
(Z)-2-(N-amino-2-fluoroanilino)-1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-4-ylethenamine has a molecular weight of 406.40 g/mol, XLogP of 3.57, 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-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-4-ylethenamine is sourced from PubChem (CID 135245885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).