N-[(E)-1-phenylethylideneamino]-2,6-dipyridin-2-ylpyridin-4-amine

C23H19N5 — CID 177396437

IUPACN-[(E)-1-phenylethylideneamino]-2,6-dipyridin-2-ylpyridin-4-amine
SMILESC/C(=N\Nc1cc(-c2ccccn2)nc(-c2ccccn2)c1)c1ccccc1
InChIInChI=1S/C23H19N5/c1-17(18-9-3-2-4-10-18)27-28-19-15-22(20-11-5-7-13-24-20)26-23(16-19)21-12-6-8-14-25-21/h2-16H,1H3,(H,26,28)/b27-17+
InChIKeyLPFBEABGPBAAKV-WPWMEQJKSA-N
MW365.44 g/mol
LogP5.04
Rot. Bonds5

About N-[(E)-1-phenylethylideneamino]-2,6-dipyridin-2-ylpyridin-4-amine

N-[(E)-1-phenylethylideneamino]-2,6-dipyridin-2-ylpyridin-4-amine (PubChem CID 177396437) has the molecular formula C23H19N5 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[(E)-1-phenylethylideneamino]-2,6-dipyridin-2-ylpyridin-4-amine.

Molecular Properties

Compound NameN-[(E)-1-phenylethylideneamino]-2,6-dipyridin-2-ylpyridin-4-amine
PubChem CID177396437
Molecular FormulaC23H19N5
Molecular Weight365.44 g/mol
Exact Mass365.16
IUPAC NameN-[(E)-1-phenylethylideneamino]-2,6-dipyridin-2-ylpyridin-4-amine
SMILESC/C(=N\Nc1cc(-c2ccccn2)nc(-c2ccccn2)c1)c1ccccc1
InChIInChI=1S/C23H19N5/c1-17(18-9-3-2-4-10-18)27-28-19-15-22(20-11-5-7-13-24-20)26-23(16-19)21-12-6-8-14-25-21/h2-16H,1H3,(H,26,28)/b27-17+
InChIKeyLPFBEABGPBAAKV-WPWMEQJKSA-N
XLogP5.04
TPSA63.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.44
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 N-[(E)-1-phenylethylideneamino]-2,6-dipyridin-2-ylpyridin-4-amine?
The IUPAC name of N-[(E)-1-phenylethylideneamino]-2,6-dipyridin-2-ylpyridin-4-amine (CID 177396437) is N-[(E)-1-phenylethylideneamino]-2,6-dipyridin-2-ylpyridin-4-amine.
What is the SMILES notation for N-[(E)-1-phenylethylideneamino]-2,6-dipyridin-2-ylpyridin-4-amine?
The canonical SMILES for N-[(E)-1-phenylethylideneamino]-2,6-dipyridin-2-ylpyridin-4-amine is C/C(=N\Nc1cc(-c2ccccn2)nc(-c2ccccn2)c1)c1ccccc1.
What is the InChIKey of N-[(E)-1-phenylethylideneamino]-2,6-dipyridin-2-ylpyridin-4-amine?
The InChIKey is LPFBEABGPBAAKV-WPWMEQJKSA-N. The full InChI is InChI=1S/C23H19N5/c1-17(18-9-3-2-4-10-18)27-28-19-15-22(20-11-5-7-13-24-20)26-23(16-19)21-12-6-8-14-25-21/h2-16H,1H3,(H,26,28)/b27-17+.
What are the key properties of N-[(E)-1-phenylethylideneamino]-2,6-dipyridin-2-ylpyridin-4-amine?
N-[(E)-1-phenylethylideneamino]-2,6-dipyridin-2-ylpyridin-4-amine has a molecular weight of 365.44 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-phenylethylideneamino]-2,6-dipyridin-2-ylpyridin-4-amine is sourced from PubChem (CID 177396437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).