3-fluoro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine

C17H13FN4 — CID 134463822

IUPAC3-fluoro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine
SMILESFc1cccnc1N/N=C(\c1ccccc1)c1ccccn1
InChIInChI=1S/C17H13FN4/c18-14-9-6-12-20-17(14)22-21-16(13-7-2-1-3-8-13)15-10-4-5-11-19-15/h1-12H,(H,20,22)/b21-16+
InChIKeyAOGQUITUDYBJMX-LTGZKZEYSA-N
MW292.32 g/mol
LogP3.48
Rot. Bonds4

About 3-fluoro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine

3-fluoro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine (PubChem CID 134463822) has the molecular formula C17H13FN4 and a molecular weight of 292.32 g/mol. Its IUPAC name is 3-fluoro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine.

Molecular Properties

Compound Name3-fluoro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine
PubChem CID134463822
Molecular FormulaC17H13FN4
Molecular Weight292.32 g/mol
Exact Mass292.11
IUPAC Name3-fluoro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine
SMILESFc1cccnc1N/N=C(\c1ccccc1)c1ccccn1
InChIInChI=1S/C17H13FN4/c18-14-9-6-12-20-17(14)22-21-16(13-7-2-1-3-8-13)15-10-4-5-11-19-15/h1-12H,(H,20,22)/b21-16+
InChIKeyAOGQUITUDYBJMX-LTGZKZEYSA-N
XLogP3.48
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-fluoro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine
CID 6512079
2-fluoro-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 4536302
(NZ)-N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine
CID 135427108
5-chloro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine
CID 134463832
methyl N-[[phenyl(pyridin-2-yl)methylidene]amino]carbamate
CID 5103078
cerium(3+);tris(N-oxido-1-phenyl-1-pyridin-2-ylmethanimine)
CID 50910437
cerium(3+);tris((E)-N-oxido-1-phenyl-1-pyridin-2-ylmethanimine);chloride
CID 54608591
bis(N'-ethyl-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]carbamimidothioate);iron(2+)
CID 16749582
5-nitro-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine
CID 6035374
N-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]aniline
CID 90750813
2-hydroxy-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 6262559
2-hydroxy-2-phenyl-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]acetamide
CID 6305283

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine?
The IUPAC name of 3-fluoro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine (CID 134463822) is 3-fluoro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine.
What is the SMILES notation for 3-fluoro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine?
The canonical SMILES for 3-fluoro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine is Fc1cccnc1N/N=C(\c1ccccc1)c1ccccn1.
What is the InChIKey of 3-fluoro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine?
The InChIKey is AOGQUITUDYBJMX-LTGZKZEYSA-N. The full InChI is InChI=1S/C17H13FN4/c18-14-9-6-12-20-17(14)22-21-16(13-7-2-1-3-8-13)15-10-4-5-11-19-15/h1-12H,(H,20,22)/b21-16+.
What are the key properties of 3-fluoro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine?
3-fluoro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine has a molecular weight of 292.32 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine is sourced from PubChem (CID 134463822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).