5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine

C19H17FN4 — CID 123477606

IUPAC5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine
SMILES[H]/N=C/c1cc(-c2cc(N)cnc2-c2ccc(F)c(C)c2)ccc1N
InChIInChI=1S/C19H17FN4/c1-11-6-13(2-4-17(11)20)19-16(8-15(22)10-24-19)12-3-5-18(23)14(7-12)9-21/h2-10,21H,22-23H2,1H3/b21-9+
InChIKeyGADDLCJUHCBOAU-ZVBGSRNCSA-N
MW320.37 g/mol
LogP4.03
Rot. Bonds3

About 5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine

5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine (PubChem CID 123477606) has the molecular formula C19H17FN4 and a molecular weight of 320.37 g/mol. Its IUPAC name is 5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine.

Molecular Properties

Compound Name5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine
PubChem CID123477606
Molecular FormulaC19H17FN4
Molecular Weight320.37 g/mol
Exact Mass320.14
IUPAC Name5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine
SMILES[H]/N=C/c1cc(-c2cc(N)cnc2-c2ccc(F)c(C)c2)ccc1N
InChIInChI=1S/C19H17FN4/c1-11-6-13(2-4-17(11)20)19-16(8-15(22)10-24-19)12-3-5-18(23)14(7-12)9-21/h2-10,21H,22-23H2,1H3/b21-9+
InChIKeyGADDLCJUHCBOAU-ZVBGSRNCSA-N
XLogP4.03
TPSA88.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine?
The IUPAC name of 5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine (CID 123477606) is 5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine.
What is the SMILES notation for 5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine?
The canonical SMILES for 5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine is [H]/N=C/c1cc(-c2cc(N)cnc2-c2ccc(F)c(C)c2)ccc1N.
What is the InChIKey of 5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine?
The InChIKey is GADDLCJUHCBOAU-ZVBGSRNCSA-N. The full InChI is InChI=1S/C19H17FN4/c1-11-6-13(2-4-17(11)20)19-16(8-15(22)10-24-19)12-3-5-18(23)14(7-12)9-21/h2-10,21H,22-23H2,1H3/b21-9+.
What are the key properties of 5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine?
5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine has a molecular weight of 320.37 g/mol, XLogP of 4.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine is sourced from PubChem (CID 123477606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).