[(Z)-[phenyl(pyridin-4-yl)methylidene]amino] 4-methoxybenzoate

C20H16N2O3 — CID 6383144

IUPAC[(Z)-[phenyl(pyridin-4-yl)methylidene]amino] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)O/N=C(/c2ccccc2)c2ccncc2)cc1
InChIInChI=1S/C20H16N2O3/c1-24-18-9-7-17(8-10-18)20(23)25-22-19(15-5-3-2-4-6-15)16-11-13-21-14-12-16/h2-14H,1H3/b22-19-
InChIKeyTWZZGFWXLCVVQI-QOCHGBHMSA-N
MW332.36 g/mol
LogP3.70
Rot. Bonds5

About [(Z)-[phenyl(pyridin-4-yl)methylidene]amino] 4-methoxybenzoate

[(Z)-[phenyl(pyridin-4-yl)methylidene]amino] 4-methoxybenzoate (PubChem CID 6383144) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is [(Z)-[phenyl(pyridin-4-yl)methylidene]amino] 4-methoxybenzoate.

Molecular Properties

Compound Name[(Z)-[phenyl(pyridin-4-yl)methylidene]amino] 4-methoxybenzoate
PubChem CID6383144
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name[(Z)-[phenyl(pyridin-4-yl)methylidene]amino] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)O/N=C(/c2ccccc2)c2ccncc2)cc1
InChIInChI=1S/C20H16N2O3/c1-24-18-9-7-17(8-10-18)20(23)25-22-19(15-5-3-2-4-6-15)16-11-13-21-14-12-16/h2-14H,1H3/b22-19-
InChIKeyTWZZGFWXLCVVQI-QOCHGBHMSA-N
XLogP3.70
TPSA60.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(Z)-[phenyl(pyridin-4-yl)methylidene]amino] 4-methoxybenzoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(Z)-[phenyl(pyridin-4-yl)methylidene]amino] 4-methoxybenzoate?
The IUPAC name of [(Z)-[phenyl(pyridin-4-yl)methylidene]amino] 4-methoxybenzoate (CID 6383144) is [(Z)-[phenyl(pyridin-4-yl)methylidene]amino] 4-methoxybenzoate.
What is the SMILES notation for [(Z)-[phenyl(pyridin-4-yl)methylidene]amino] 4-methoxybenzoate?
The canonical SMILES for [(Z)-[phenyl(pyridin-4-yl)methylidene]amino] 4-methoxybenzoate is COc1ccc(C(=O)O/N=C(/c2ccccc2)c2ccncc2)cc1.
What is the InChIKey of [(Z)-[phenyl(pyridin-4-yl)methylidene]amino] 4-methoxybenzoate?
The InChIKey is TWZZGFWXLCVVQI-QOCHGBHMSA-N. The full InChI is InChI=1S/C20H16N2O3/c1-24-18-9-7-17(8-10-18)20(23)25-22-19(15-5-3-2-4-6-15)16-11-13-21-14-12-16/h2-14H,1H3/b22-19-.
What are the key properties of [(Z)-[phenyl(pyridin-4-yl)methylidene]amino] 4-methoxybenzoate?
[(Z)-[phenyl(pyridin-4-yl)methylidene]amino] 4-methoxybenzoate has a molecular weight of 332.36 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[phenyl(pyridin-4-yl)methylidene]amino] 4-methoxybenzoate is sourced from PubChem (CID 6383144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).