2-[[5-[2-(2-methyl-3-phenylphenyl)ethenyl]-2-pyridinyl]methylamino]acetaldehyde

C23H22N2O — CID 138555485

IUPAC2-[[5-[2-(2-methyl-3-phenylphenyl)ethenyl]-2-pyridinyl]methylamino]acetaldehyde
SMILESCc1c(C=Cc2ccc(CNCC=O)nc2)cccc1-c1ccccc1
InChIInChI=1S/C23H22N2O/c1-18-20(8-5-9-23(18)21-6-3-2-4-7-21)12-10-19-11-13-22(25-16-19)17-24-14-15-26/h2-13,15-16,24H,14,17H2,1H3
InChIKeyGTHWRDOFPAARGW-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.52
Rot. Bonds7

About 2-[[5-[2-(2-methyl-3-phenylphenyl)ethenyl]-2-pyridinyl]methylamino]acetaldehyde

2-[[5-[2-(2-methyl-3-phenylphenyl)ethenyl]-2-pyridinyl]methylamino]acetaldehyde (PubChem CID 138555485) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[[5-[2-(2-methyl-3-phenylphenyl)ethenyl]-2-pyridinyl]methylamino]acetaldehyde.

Molecular Properties

Compound Name2-[[5-[2-(2-methyl-3-phenylphenyl)ethenyl]-2-pyridinyl]methylamino]acetaldehyde
PubChem CID138555485
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name2-[[5-[2-(2-methyl-3-phenylphenyl)ethenyl]-2-pyridinyl]methylamino]acetaldehyde
SMILESCc1c(C=Cc2ccc(CNCC=O)nc2)cccc1-c1ccccc1
InChIInChI=1S/C23H22N2O/c1-18-20(8-5-9-23(18)21-6-3-2-4-7-21)12-10-19-11-13-22(25-16-19)17-24-14-15-26/h2-13,15-16,24H,14,17H2,1H3
InChIKeyGTHWRDOFPAARGW-UHFFFAOYSA-N
XLogP4.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[2-(2-methyl-3-phenylphenyl)ethenyl]-2-pyridinyl]methylamino]acetaldehyde?
The IUPAC name of 2-[[5-[2-(2-methyl-3-phenylphenyl)ethenyl]-2-pyridinyl]methylamino]acetaldehyde (CID 138555485) is 2-[[5-[2-(2-methyl-3-phenylphenyl)ethenyl]-2-pyridinyl]methylamino]acetaldehyde.
What is the SMILES notation for 2-[[5-[2-(2-methyl-3-phenylphenyl)ethenyl]-2-pyridinyl]methylamino]acetaldehyde?
The canonical SMILES for 2-[[5-[2-(2-methyl-3-phenylphenyl)ethenyl]-2-pyridinyl]methylamino]acetaldehyde is Cc1c(C=Cc2ccc(CNCC=O)nc2)cccc1-c1ccccc1.
What is the InChIKey of 2-[[5-[2-(2-methyl-3-phenylphenyl)ethenyl]-2-pyridinyl]methylamino]acetaldehyde?
The InChIKey is GTHWRDOFPAARGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c1-18-20(8-5-9-23(18)21-6-3-2-4-7-21)12-10-19-11-13-22(25-16-19)17-24-14-15-26/h2-13,15-16,24H,14,17H2,1H3.
What are the key properties of 2-[[5-[2-(2-methyl-3-phenylphenyl)ethenyl]-2-pyridinyl]methylamino]acetaldehyde?
2-[[5-[2-(2-methyl-3-phenylphenyl)ethenyl]-2-pyridinyl]methylamino]acetaldehyde has a molecular weight of 342.44 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[2-(2-methyl-3-phenylphenyl)ethenyl]-2-pyridinyl]methylamino]acetaldehyde is sourced from PubChem (CID 138555485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).