6-[ethyl(methyl)amino]pyridine-3-carbaldehyde

C9H12N2O — CID 76848692

IUPAC6-[ethyl(methyl)amino]pyridine-3-carbaldehyde
SMILESCCN(C)c1ccc(C=O)cn1
InChIInChI=1S/C9H12N2O/c1-3-11(2)9-5-4-8(7-12)6-10-9/h4-7H,3H2,1-2H3
InChIKeyCGMPPLHVHNJTEB-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.35
Rot. Bonds3

About 6-[ethyl(methyl)amino]pyridine-3-carbaldehyde

6-[ethyl(methyl)amino]pyridine-3-carbaldehyde (PubChem CID 76848692) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 6-[ethyl(methyl)amino]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[ethyl(methyl)amino]pyridine-3-carbaldehyde
PubChem CID76848692
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name6-[ethyl(methyl)amino]pyridine-3-carbaldehyde
SMILESCCN(C)c1ccc(C=O)cn1
InChIInChI=1S/C9H12N2O/c1-3-11(2)9-5-4-8(7-12)6-10-9/h4-7H,3H2,1-2H3
InChIKeyCGMPPLHVHNJTEB-UHFFFAOYSA-N
XLogP1.35
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.35
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

2-[(5-formyl-2-pyridinyl)-methylamino]acetamide
CID 80637138
2-[(5-formyl-2-pyridinyl)-methylamino]-N-methylacetamide
CID 80637307
6-[methyl(3-methylbutan-2-yl)amino]pyridine-3-carbaldehyde
CID 80636962
6-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyridine-3-carbaldehyde
CID 80637621
2-N-ethyl-2-N-methylpyridine-2,5-diamine
CID 43263136
6-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-3-carbaldehyde
CID 80632585
6-[(3-chlorophenyl)methyl-methylamino]pyridine-3-carbaldehyde
CID 80638202
6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carbaldehyde
CID 80632829
6-(N,2-dimethylanilino)pyridine-3-carbaldehyde
CID 80637845
6-(4-methoxy-N-methylanilino)pyridine-3-carbaldehyde
CID 80638947
2-[(5-formyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 80638047
6-[bis(prop-2-enyl)amino]pyridine-3-carbaldehyde
CID 80636417

Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(methyl)amino]pyridine-3-carbaldehyde?
The IUPAC name of 6-[ethyl(methyl)amino]pyridine-3-carbaldehyde (CID 76848692) is 6-[ethyl(methyl)amino]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[ethyl(methyl)amino]pyridine-3-carbaldehyde?
The canonical SMILES for 6-[ethyl(methyl)amino]pyridine-3-carbaldehyde is CCN(C)c1ccc(C=O)cn1.
What is the InChIKey of 6-[ethyl(methyl)amino]pyridine-3-carbaldehyde?
The InChIKey is CGMPPLHVHNJTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-3-11(2)9-5-4-8(7-12)6-10-9/h4-7H,3H2,1-2H3.
What are the key properties of 6-[ethyl(methyl)amino]pyridine-3-carbaldehyde?
6-[ethyl(methyl)amino]pyridine-3-carbaldehyde has a molecular weight of 164.21 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(methyl)amino]pyridine-3-carbaldehyde is sourced from PubChem (CID 76848692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).