6-(4-ethyl-N-methylanilino)-5-methylpyridine-3-carbaldehyde

C16H18N2O — CID 80636648

IUPAC6-(4-ethyl-N-methylanilino)-5-methylpyridine-3-carbaldehyde
SMILESCCc1ccc(N(C)c2ncc(C=O)cc2C)cc1
InChIInChI=1S/C16H18N2O/c1-4-13-5-7-15(8-6-13)18(3)16-12(2)9-14(11-19)10-17-16/h5-11H,4H2,1-3H3
InChIKeyCBIDPNCTUFPMGX-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.53
Rot. Bonds4

About 6-(4-ethyl-N-methylanilino)-5-methylpyridine-3-carbaldehyde

6-(4-ethyl-N-methylanilino)-5-methylpyridine-3-carbaldehyde (PubChem CID 80636648) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 6-(4-ethyl-N-methylanilino)-5-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(4-ethyl-N-methylanilino)-5-methylpyridine-3-carbaldehyde
PubChem CID80636648
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name6-(4-ethyl-N-methylanilino)-5-methylpyridine-3-carbaldehyde
SMILESCCc1ccc(N(C)c2ncc(C=O)cc2C)cc1
InChIInChI=1S/C16H18N2O/c1-4-13-5-7-15(8-6-13)18(3)16-12(2)9-14(11-19)10-17-16/h5-11H,4H2,1-3H3
InChIKeyCBIDPNCTUFPMGX-UHFFFAOYSA-N
XLogP3.53
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(4-ethyl-N-methylanilino)-5-methylpyridine-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

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethyl-N-methylanilino)-5-methylpyridine-3-carbaldehyde?
The IUPAC name of 6-(4-ethyl-N-methylanilino)-5-methylpyridine-3-carbaldehyde (CID 80636648) is 6-(4-ethyl-N-methylanilino)-5-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-(4-ethyl-N-methylanilino)-5-methylpyridine-3-carbaldehyde?
The canonical SMILES for 6-(4-ethyl-N-methylanilino)-5-methylpyridine-3-carbaldehyde is CCc1ccc(N(C)c2ncc(C=O)cc2C)cc1.
What is the InChIKey of 6-(4-ethyl-N-methylanilino)-5-methylpyridine-3-carbaldehyde?
The InChIKey is CBIDPNCTUFPMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-4-13-5-7-15(8-6-13)18(3)16-12(2)9-14(11-19)10-17-16/h5-11H,4H2,1-3H3.
What are the key properties of 6-(4-ethyl-N-methylanilino)-5-methylpyridine-3-carbaldehyde?
6-(4-ethyl-N-methylanilino)-5-methylpyridine-3-carbaldehyde has a molecular weight of 254.33 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethyl-N-methylanilino)-5-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 80636648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).