4-[2-(4-aminophenyl)-6-(furan-2-yl)-4-pyridinyl]benzaldehyde

C22H16N2O2 — CID 145124285

IUPAC4-[2-(4-aminophenyl)-6-(furan-2-yl)-4-pyridinyl]benzaldehyde
SMILESNc1ccc(-c2cc(-c3ccc(C=O)cc3)cc(-c3ccco3)n2)cc1
InChIInChI=1S/C22H16N2O2/c23-19-9-7-17(8-10-19)20-12-18(16-5-3-15(14-25)4-6-16)13-21(24-20)22-2-1-11-26-22/h1-14H,23H2
InChIKeyDKJCAMVRYKMWLZ-UHFFFAOYSA-N
MW340.38 g/mol
LogP5.07
Rot. Bonds4

About 4-[2-(4-aminophenyl)-6-(furan-2-yl)-4-pyridinyl]benzaldehyde

4-[2-(4-aminophenyl)-6-(furan-2-yl)-4-pyridinyl]benzaldehyde (PubChem CID 145124285) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-[2-(4-aminophenyl)-6-(furan-2-yl)-4-pyridinyl]benzaldehyde.

Molecular Properties

Compound Name4-[2-(4-aminophenyl)-6-(furan-2-yl)-4-pyridinyl]benzaldehyde
PubChem CID145124285
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Name4-[2-(4-aminophenyl)-6-(furan-2-yl)-4-pyridinyl]benzaldehyde
SMILESNc1ccc(-c2cc(-c3ccc(C=O)cc3)cc(-c3ccco3)n2)cc1
InChIInChI=1S/C22H16N2O2/c23-19-9-7-17(8-10-19)20-12-18(16-5-3-15(14-25)4-6-16)13-21(24-20)22-2-1-11-26-22/h1-14H,23H2
InChIKeyDKJCAMVRYKMWLZ-UHFFFAOYSA-N
XLogP5.07
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.38
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-aminophenyl)-6-(furan-2-yl)-4-pyridinyl]benzaldehyde?
The IUPAC name of 4-[2-(4-aminophenyl)-6-(furan-2-yl)-4-pyridinyl]benzaldehyde (CID 145124285) is 4-[2-(4-aminophenyl)-6-(furan-2-yl)-4-pyridinyl]benzaldehyde.
What is the SMILES notation for 4-[2-(4-aminophenyl)-6-(furan-2-yl)-4-pyridinyl]benzaldehyde?
The canonical SMILES for 4-[2-(4-aminophenyl)-6-(furan-2-yl)-4-pyridinyl]benzaldehyde is Nc1ccc(-c2cc(-c3ccc(C=O)cc3)cc(-c3ccco3)n2)cc1.
What is the InChIKey of 4-[2-(4-aminophenyl)-6-(furan-2-yl)-4-pyridinyl]benzaldehyde?
The InChIKey is DKJCAMVRYKMWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c23-19-9-7-17(8-10-19)20-12-18(16-5-3-15(14-25)4-6-16)13-21(24-20)22-2-1-11-26-22/h1-14H,23H2.
What are the key properties of 4-[2-(4-aminophenyl)-6-(furan-2-yl)-4-pyridinyl]benzaldehyde?
4-[2-(4-aminophenyl)-6-(furan-2-yl)-4-pyridinyl]benzaldehyde has a molecular weight of 340.38 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-aminophenyl)-6-(furan-2-yl)-4-pyridinyl]benzaldehyde is sourced from PubChem (CID 145124285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).