6-(N,4-dimethylanilino)-5-methylpyridine-3-carbaldehyde

C15H16N2O — CID 80638223

IUPAC6-(N,4-dimethylanilino)-5-methylpyridine-3-carbaldehyde
SMILESCc1ccc(N(C)c2ncc(C=O)cc2C)cc1
InChIInChI=1S/C15H16N2O/c1-11-4-6-14(7-5-11)17(3)15-12(2)8-13(10-18)9-16-15/h4-10H,1-3H3
InChIKeyGUTXRWMQRUFDIG-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.28
Rot. Bonds3

About 6-(N,4-dimethylanilino)-5-methylpyridine-3-carbaldehyde

6-(N,4-dimethylanilino)-5-methylpyridine-3-carbaldehyde (PubChem CID 80638223) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 6-(N,4-dimethylanilino)-5-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(N,4-dimethylanilino)-5-methylpyridine-3-carbaldehyde
PubChem CID80638223
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name6-(N,4-dimethylanilino)-5-methylpyridine-3-carbaldehyde
SMILESCc1ccc(N(C)c2ncc(C=O)cc2C)cc1
InChIInChI=1S/C15H16N2O/c1-11-4-6-14(7-5-11)17(3)15-12(2)8-13(10-18)9-16-15/h4-10H,1-3H3
InChIKeyGUTXRWMQRUFDIG-UHFFFAOYSA-N
XLogP3.28
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(N,4-dimethylanilino)-5-methylpyridine-3-carbaldehyde?
The IUPAC name of 6-(N,4-dimethylanilino)-5-methylpyridine-3-carbaldehyde (CID 80638223) is 6-(N,4-dimethylanilino)-5-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-(N,4-dimethylanilino)-5-methylpyridine-3-carbaldehyde?
The canonical SMILES for 6-(N,4-dimethylanilino)-5-methylpyridine-3-carbaldehyde is Cc1ccc(N(C)c2ncc(C=O)cc2C)cc1.
What is the InChIKey of 6-(N,4-dimethylanilino)-5-methylpyridine-3-carbaldehyde?
The InChIKey is GUTXRWMQRUFDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-11-4-6-14(7-5-11)17(3)15-12(2)8-13(10-18)9-16-15/h4-10H,1-3H3.
What are the key properties of 6-(N,4-dimethylanilino)-5-methylpyridine-3-carbaldehyde?
6-(N,4-dimethylanilino)-5-methylpyridine-3-carbaldehyde has a molecular weight of 240.31 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N,4-dimethylanilino)-5-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 80638223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).