4-methyl-2-(methylamino)-2H-pyridine-1-carbaldehyde

C8H12N2O — CID 166886308

IUPAC4-methyl-2-(methylamino)-2H-pyridine-1-carbaldehyde
SMILESCNC1C=C(C)C=CN1C=O
InChIInChI=1S/C8H12N2O/c1-7-3-4-10(6-11)8(5-7)9-2/h3-6,8-9H,1-2H3
InChIKeyBMUHMISISXPOML-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.46
Rot. Bonds2

About 4-methyl-2-(methylamino)-2H-pyridine-1-carbaldehyde

4-methyl-2-(methylamino)-2H-pyridine-1-carbaldehyde (PubChem CID 166886308) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 4-methyl-2-(methylamino)-2H-pyridine-1-carbaldehyde.

Molecular Properties

Compound Name4-methyl-2-(methylamino)-2H-pyridine-1-carbaldehyde
PubChem CID166886308
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name4-methyl-2-(methylamino)-2H-pyridine-1-carbaldehyde
SMILESCNC1C=C(C)C=CN1C=O
InChIInChI=1S/C8H12N2O/c1-7-3-4-10(6-11)8(5-7)9-2/h3-6,8-9H,1-2H3
InChIKeyBMUHMISISXPOML-UHFFFAOYSA-N
XLogP0.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methyl-2-(methylamino)-2H-pyridine-1-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 4-methyl-2-(methylamino)-2H-pyridine-1-carbaldehyde?
The IUPAC name of 4-methyl-2-(methylamino)-2H-pyridine-1-carbaldehyde (CID 166886308) is 4-methyl-2-(methylamino)-2H-pyridine-1-carbaldehyde.
What is the SMILES notation for 4-methyl-2-(methylamino)-2H-pyridine-1-carbaldehyde?
The canonical SMILES for 4-methyl-2-(methylamino)-2H-pyridine-1-carbaldehyde is CNC1C=C(C)C=CN1C=O.
What is the InChIKey of 4-methyl-2-(methylamino)-2H-pyridine-1-carbaldehyde?
The InChIKey is BMUHMISISXPOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-7-3-4-10(6-11)8(5-7)9-2/h3-6,8-9H,1-2H3.
What are the key properties of 4-methyl-2-(methylamino)-2H-pyridine-1-carbaldehyde?
4-methyl-2-(methylamino)-2H-pyridine-1-carbaldehyde has a molecular weight of 152.20 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(methylamino)-2H-pyridine-1-carbaldehyde is sourced from PubChem (CID 166886308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).