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

C21H17FN6O — CID 135245891

IUPAC(Z)-2-(N-amino-2-fluoroanilino)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridin-4-ylethenamine
SMILESN/C(=C(/c1ccncc1)N(N)c1ccccc1F)c1nc(-c2ccccc2)no1
InChIInChI=1S/C21H17FN6O/c22-16-8-4-5-9-17(16)28(24)19(14-10-12-25-13-11-14)18(23)21-26-20(27-29-21)15-6-2-1-3-7-15/h1-13H,23-24H2/b19-18-
InChIKeyYZFFYXJCBXSLCH-HNENSFHCSA-N
MW388.41 g/mol
LogP3.44
Rot. Bonds5

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

(Z)-2-(N-amino-2-fluoroanilino)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridin-4-ylethenamine (PubChem CID 135245891) has the molecular formula C21H17FN6O and a molecular weight of 388.41 g/mol. Its IUPAC name is (Z)-2-(N-amino-2-fluoroanilino)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridin-4-ylethenamine.

Molecular Properties

Compound Name(Z)-2-(N-amino-2-fluoroanilino)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridin-4-ylethenamine
PubChem CID135245891
Molecular FormulaC21H17FN6O
Molecular Weight388.41 g/mol
Exact Mass388.14
IUPAC Name(Z)-2-(N-amino-2-fluoroanilino)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridin-4-ylethenamine
SMILESN/C(=C(/c1ccncc1)N(N)c1ccccc1F)c1nc(-c2ccccc2)no1
InChIInChI=1S/C21H17FN6O/c22-16-8-4-5-9-17(16)28(24)19(14-10-12-25-13-11-14)18(23)21-26-20(27-29-21)15-6-2-1-3-7-15/h1-13H,23-24H2/b19-18-
InChIKeyYZFFYXJCBXSLCH-HNENSFHCSA-N
XLogP3.44
TPSA107.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 53.44
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-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridin-4-ylethenamine?
The IUPAC name of (Z)-2-(N-amino-2-fluoroanilino)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridin-4-ylethenamine (CID 135245891) is (Z)-2-(N-amino-2-fluoroanilino)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridin-4-ylethenamine.
What is the SMILES notation for (Z)-2-(N-amino-2-fluoroanilino)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridin-4-ylethenamine?
The canonical SMILES for (Z)-2-(N-amino-2-fluoroanilino)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridin-4-ylethenamine is N/C(=C(/c1ccncc1)N(N)c1ccccc1F)c1nc(-c2ccccc2)no1.
What is the InChIKey of (Z)-2-(N-amino-2-fluoroanilino)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridin-4-ylethenamine?
The InChIKey is YZFFYXJCBXSLCH-HNENSFHCSA-N. The full InChI is InChI=1S/C21H17FN6O/c22-16-8-4-5-9-17(16)28(24)19(14-10-12-25-13-11-14)18(23)21-26-20(27-29-21)15-6-2-1-3-7-15/h1-13H,23-24H2/b19-18-.
What are the key properties of (Z)-2-(N-amino-2-fluoroanilino)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridin-4-ylethenamine?
(Z)-2-(N-amino-2-fluoroanilino)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridin-4-ylethenamine has a molecular weight of 388.41 g/mol, XLogP of 3.44, 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-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridin-4-ylethenamine is sourced from PubChem (CID 135245891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).