4-phenylmethoxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide

C20H17N3O2 — CID 6867032

IUPAC4-phenylmethoxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1ccncc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H17N3O2/c24-20(23-22-14-16-10-12-21-13-11-16)18-6-8-19(9-7-18)25-15-17-4-2-1-3-5-17/h1-14H,15H2,(H,23,24)/b22-14+
InChIKeyQCAZVQNBCACWFW-HYARGMPZSA-N
MW331.38 g/mol
LogP3.42
Rot. Bonds6

About 4-phenylmethoxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide

4-phenylmethoxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide (PubChem CID 6867032) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-phenylmethoxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name4-phenylmethoxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide
PubChem CID6867032
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name4-phenylmethoxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1ccncc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H17N3O2/c24-20(23-22-14-16-10-12-21-13-11-16)18-6-8-19(9-7-18)25-15-17-4-2-1-3-5-17/h1-14H,15H2,(H,23,24)/b22-14+
InChIKeyQCAZVQNBCACWFW-HYARGMPZSA-N
XLogP3.42
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.42
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'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide?
The IUPAC name of 4-phenylmethoxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide (CID 6867032) is 4-phenylmethoxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide.
What is the SMILES notation for 4-phenylmethoxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide?
The canonical SMILES for 4-phenylmethoxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide is O=C(N/N=C/c1ccncc1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 4-phenylmethoxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide?
The InChIKey is QCAZVQNBCACWFW-HYARGMPZSA-N. The full InChI is InChI=1S/C20H17N3O2/c24-20(23-22-14-16-10-12-21-13-11-16)18-6-8-19(9-7-18)25-15-17-4-2-1-3-5-17/h1-14H,15H2,(H,23,24)/b22-14+.
What are the key properties of 4-phenylmethoxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide?
4-phenylmethoxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide has a molecular weight of 331.38 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide is sourced from PubChem (CID 6867032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).