2-[(Z)-1-(methylamino)but-1-enyl]-6-(1-phenylethyl)pyridine-4-carbaldehyde

C19H22N2O — CID 166828831

IUPAC2-[(Z)-1-(methylamino)but-1-enyl]-6-(1-phenylethyl)pyridine-4-carbaldehyde
SMILESCC/C=C(\NC)c1cc(C=O)cc(C(C)c2ccccc2)n1
InChIInChI=1S/C19H22N2O/c1-4-8-17(20-3)19-12-15(13-22)11-18(21-19)14(2)16-9-6-5-7-10-16/h5-14,20H,4H2,1-3H3/b17-8-
InChIKeyRUBKMDIZGDNSEH-IUXPMGMMSA-N
MW294.40 g/mol
LogP4.02
Rot. Bonds6

About 2-[(Z)-1-(methylamino)but-1-enyl]-6-(1-phenylethyl)pyridine-4-carbaldehyde

2-[(Z)-1-(methylamino)but-1-enyl]-6-(1-phenylethyl)pyridine-4-carbaldehyde (PubChem CID 166828831) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[(Z)-1-(methylamino)but-1-enyl]-6-(1-phenylethyl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-[(Z)-1-(methylamino)but-1-enyl]-6-(1-phenylethyl)pyridine-4-carbaldehyde
PubChem CID166828831
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name2-[(Z)-1-(methylamino)but-1-enyl]-6-(1-phenylethyl)pyridine-4-carbaldehyde
SMILESCC/C=C(\NC)c1cc(C=O)cc(C(C)c2ccccc2)n1
InChIInChI=1S/C19H22N2O/c1-4-8-17(20-3)19-12-15(13-22)11-18(21-19)14(2)16-9-6-5-7-10-16/h5-14,20H,4H2,1-3H3/b17-8-
InChIKeyRUBKMDIZGDNSEH-IUXPMGMMSA-N
XLogP4.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(Z)-1-(methylamino)but-1-enyl]-6-(1-phenylethyl)pyridine-4-carbaldehyde 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 2-[(Z)-1-(methylamino)but-1-enyl]-6-(1-phenylethyl)pyridine-4-carbaldehyde?
The IUPAC name of 2-[(Z)-1-(methylamino)but-1-enyl]-6-(1-phenylethyl)pyridine-4-carbaldehyde (CID 166828831) is 2-[(Z)-1-(methylamino)but-1-enyl]-6-(1-phenylethyl)pyridine-4-carbaldehyde.
What is the SMILES notation for 2-[(Z)-1-(methylamino)but-1-enyl]-6-(1-phenylethyl)pyridine-4-carbaldehyde?
The canonical SMILES for 2-[(Z)-1-(methylamino)but-1-enyl]-6-(1-phenylethyl)pyridine-4-carbaldehyde is CC/C=C(\NC)c1cc(C=O)cc(C(C)c2ccccc2)n1.
What is the InChIKey of 2-[(Z)-1-(methylamino)but-1-enyl]-6-(1-phenylethyl)pyridine-4-carbaldehyde?
The InChIKey is RUBKMDIZGDNSEH-IUXPMGMMSA-N. The full InChI is InChI=1S/C19H22N2O/c1-4-8-17(20-3)19-12-15(13-22)11-18(21-19)14(2)16-9-6-5-7-10-16/h5-14,20H,4H2,1-3H3/b17-8-.
What are the key properties of 2-[(Z)-1-(methylamino)but-1-enyl]-6-(1-phenylethyl)pyridine-4-carbaldehyde?
2-[(Z)-1-(methylamino)but-1-enyl]-6-(1-phenylethyl)pyridine-4-carbaldehyde has a molecular weight of 294.40 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-(methylamino)but-1-enyl]-6-(1-phenylethyl)pyridine-4-carbaldehyde is sourced from PubChem (CID 166828831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).