(4E)-4-phenyl-4-(pyridine-4-carbonylhydrazinylidene)butanoic acid

C16H15N3O3 — CID 6390880

IUPAC(4E)-4-phenyl-4-(pyridine-4-carbonylhydrazinylidene)butanoic acid
SMILESO=C(O)CC/C(=N\NC(=O)c1ccncc1)c1ccccc1
InChIInChI=1S/C16H15N3O3/c20-15(21)7-6-14(12-4-2-1-3-5-12)18-19-16(22)13-8-10-17-11-9-13/h1-5,8-11H,6-7H2,(H,19,22)(H,20,21)/b18-14+
InChIKeyKUKGXWMNCZIDQD-NBVRZTHBSA-N
MW297.31 g/mol
LogP2.08
Rot. Bonds6

About (4E)-4-phenyl-4-(pyridine-4-carbonylhydrazinylidene)butanoic acid

(4E)-4-phenyl-4-(pyridine-4-carbonylhydrazinylidene)butanoic acid (PubChem CID 6390880) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is (4E)-4-phenyl-4-(pyridine-4-carbonylhydrazinylidene)butanoic acid.

Molecular Properties

Compound Name(4E)-4-phenyl-4-(pyridine-4-carbonylhydrazinylidene)butanoic acid
PubChem CID6390880
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name(4E)-4-phenyl-4-(pyridine-4-carbonylhydrazinylidene)butanoic acid
SMILESO=C(O)CC/C(=N\NC(=O)c1ccncc1)c1ccccc1
InChIInChI=1S/C16H15N3O3/c20-15(21)7-6-14(12-4-2-1-3-5-12)18-19-16(22)13-8-10-17-11-9-13/h1-5,8-11H,6-7H2,(H,19,22)(H,20,21)/b18-14+
InChIKeyKUKGXWMNCZIDQD-NBVRZTHBSA-N
XLogP2.08
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.08
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-phenyl-4-(pyridine-4-carbonylhydrazinylidene)butanoic acid?
The IUPAC name of (4E)-4-phenyl-4-(pyridine-4-carbonylhydrazinylidene)butanoic acid (CID 6390880) is (4E)-4-phenyl-4-(pyridine-4-carbonylhydrazinylidene)butanoic acid.
What is the SMILES notation for (4E)-4-phenyl-4-(pyridine-4-carbonylhydrazinylidene)butanoic acid?
The canonical SMILES for (4E)-4-phenyl-4-(pyridine-4-carbonylhydrazinylidene)butanoic acid is O=C(O)CC/C(=N\NC(=O)c1ccncc1)c1ccccc1.
What is the InChIKey of (4E)-4-phenyl-4-(pyridine-4-carbonylhydrazinylidene)butanoic acid?
The InChIKey is KUKGXWMNCZIDQD-NBVRZTHBSA-N. The full InChI is InChI=1S/C16H15N3O3/c20-15(21)7-6-14(12-4-2-1-3-5-12)18-19-16(22)13-8-10-17-11-9-13/h1-5,8-11H,6-7H2,(H,19,22)(H,20,21)/b18-14+.
What are the key properties of (4E)-4-phenyl-4-(pyridine-4-carbonylhydrazinylidene)butanoic acid?
(4E)-4-phenyl-4-(pyridine-4-carbonylhydrazinylidene)butanoic acid has a molecular weight of 297.31 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-phenyl-4-(pyridine-4-carbonylhydrazinylidene)butanoic acid is sourced from PubChem (CID 6390880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).