6-(N,2-dimethylanilino)pyridine-3-carbaldehyde

C14H14N2O — CID 80637845

IUPAC6-(N,2-dimethylanilino)pyridine-3-carbaldehyde
SMILESCc1ccccc1N(C)c1ccc(C=O)cn1
InChIInChI=1S/C14H14N2O/c1-11-5-3-4-6-13(11)16(2)14-8-7-12(10-17)9-15-14/h3-10H,1-2H3
InChIKeyCUPCSPXZNOPUPY-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.97
Rot. Bonds3

About 6-(N,2-dimethylanilino)pyridine-3-carbaldehyde

6-(N,2-dimethylanilino)pyridine-3-carbaldehyde (PubChem CID 80637845) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 6-(N,2-dimethylanilino)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(N,2-dimethylanilino)pyridine-3-carbaldehyde
PubChem CID80637845
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name6-(N,2-dimethylanilino)pyridine-3-carbaldehyde
SMILESCc1ccccc1N(C)c1ccc(C=O)cn1
InChIInChI=1S/C14H14N2O/c1-11-5-3-4-6-13(11)16(2)14-8-7-12(10-17)9-15-14/h3-10H,1-2H3
InChIKeyCUPCSPXZNOPUPY-UHFFFAOYSA-N
XLogP2.97
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-methyl-N-(2-methylphenyl)pyridin-2-amine
CID 55208018
N-methyl-N-(2-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine
CID 62293758
6-[ethyl(methyl)amino]pyridine-3-carbaldehyde
CID 76848692
6-(4-methoxy-N-methylanilino)pyridine-3-carbaldehyde
CID 80638947
6-(aminomethyl)-N-methyl-N-(2-methylphenyl)pyridazin-3-amine
CID 62286544
6-[methyl(3-methylbutan-2-yl)amino]pyridine-3-carbaldehyde
CID 80636962
[6-(N,2-dimethylanilino)pyrazin-2-yl]methanol
CID 66468650
2-[(5-formyl-2-pyridinyl)-methylamino]acetamide
CID 80637138
6-[benzyl(phosphanyl)amino]pyridine-3-carbaldehyde
CID 143399607
6-(aminomethyl)-N-methyl-N-(2-methylphenyl)pyridin-3-amine
CID 115486981
6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carbaldehyde
CID 80632829
6-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyridine-3-carbaldehyde
CID 80637621

Frequently Asked Questions

What is the IUPAC name of 6-(N,2-dimethylanilino)pyridine-3-carbaldehyde?
The IUPAC name of 6-(N,2-dimethylanilino)pyridine-3-carbaldehyde (CID 80637845) is 6-(N,2-dimethylanilino)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(N,2-dimethylanilino)pyridine-3-carbaldehyde?
The canonical SMILES for 6-(N,2-dimethylanilino)pyridine-3-carbaldehyde is Cc1ccccc1N(C)c1ccc(C=O)cn1.
What is the InChIKey of 6-(N,2-dimethylanilino)pyridine-3-carbaldehyde?
The InChIKey is CUPCSPXZNOPUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-11-5-3-4-6-13(11)16(2)14-8-7-12(10-17)9-15-14/h3-10H,1-2H3.
What are the key properties of 6-(N,2-dimethylanilino)pyridine-3-carbaldehyde?
6-(N,2-dimethylanilino)pyridine-3-carbaldehyde has a molecular weight of 226.28 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N,2-dimethylanilino)pyridine-3-carbaldehyde is sourced from PubChem (CID 80637845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).