6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carbaldehyde

C15H15ClN2O — CID 80631934

IUPAC6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carbaldehyde
SMILESCC(c1ccc(Cl)cc1)N(C)c1ccc(C=O)cn1
InChIInChI=1S/C15H15ClN2O/c1-11(13-4-6-14(16)7-5-13)18(2)15-8-3-12(10-19)9-17-15/h3-11H,1-2H3
InChIKeyXCDOLWDIUJGSDM-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.74
Rot. Bonds4

About 6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carbaldehyde

6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carbaldehyde (PubChem CID 80631934) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carbaldehyde
PubChem CID80631934
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carbaldehyde
SMILESCC(c1ccc(Cl)cc1)N(C)c1ccc(C=O)cn1
InChIInChI=1S/C15H15ClN2O/c1-11(13-4-6-14(16)7-5-13)18(2)15-8-3-12(10-19)9-17-15/h3-11H,1-2H3
InChIKeyXCDOLWDIUJGSDM-UHFFFAOYSA-N
XLogP3.74
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

5-(bromomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine
CID 107083060
6-[methyl(3-methylbutan-2-yl)amino]pyridine-3-carbaldehyde
CID 80636962
6-[1-(4-chlorophenyl)ethyl-methylamino]-N'-hydroxypyridine-3-carboximidamide
CID 76979765
6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carboximidamide
CID 62978126
N,5-dimethyl-N-[1-(4-methylphenyl)ethyl]pyridin-2-amine
CID 70611813
6-[ethyl(methyl)amino]pyridine-3-carbaldehyde
CID 76848692
3-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine
CID 130297463
3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine
CID 62984905
N-[1-(3-aminophenyl)ethyl]-5-chloro-N-methylpyridin-2-amine
CID 60870394
3-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine
CID 62979984
2-[1-(4-chlorophenyl)ethyl-methylamino]-4-methyl-1,3-thiazole-5-carbaldehyde
CID 62983529
6-[(3-chlorophenyl)methyl-methylamino]pyridine-3-carbaldehyde
CID 80638202

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carbaldehyde?
The IUPAC name of 6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carbaldehyde (CID 80631934) is 6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carbaldehyde?
The canonical SMILES for 6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carbaldehyde is CC(c1ccc(Cl)cc1)N(C)c1ccc(C=O)cn1.
What is the InChIKey of 6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carbaldehyde?
The InChIKey is XCDOLWDIUJGSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-11(13-4-6-14(16)7-5-13)18(2)15-8-3-12(10-19)9-17-15/h3-11H,1-2H3.
What are the key properties of 6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carbaldehyde?
6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carbaldehyde has a molecular weight of 274.75 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carbaldehyde is sourced from PubChem (CID 80631934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).