4,6-dimethyl-2-(methylamino)-5-nitropyridine-3-carbonitrile

C9H10N4O2 — CID 2726058

IUPAC4,6-dimethyl-2-(methylamino)-5-nitropyridine-3-carbonitrile
SMILESCNc1nc(C)c([N+](=O)[O-])c(C)c1C#N
InChIInChI=1S/C9H10N4O2/c1-5-7(4-10)9(11-3)12-6(2)8(5)13(14)15/h1-3H3,(H,11,12)
InChIKeyOSCPQIFJZOCJIM-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.52
Rot. Bonds2

About 4,6-dimethyl-2-(methylamino)-5-nitropyridine-3-carbonitrile

4,6-dimethyl-2-(methylamino)-5-nitropyridine-3-carbonitrile (PubChem CID 2726058) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is 4,6-dimethyl-2-(methylamino)-5-nitropyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-(methylamino)-5-nitropyridine-3-carbonitrile
PubChem CID2726058
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Name4,6-dimethyl-2-(methylamino)-5-nitropyridine-3-carbonitrile
SMILESCNc1nc(C)c([N+](=O)[O-])c(C)c1C#N
InChIInChI=1S/C9H10N4O2/c1-5-7(4-10)9(11-3)12-6(2)8(5)13(14)15/h1-3H3,(H,11,12)
InChIKeyOSCPQIFJZOCJIM-UHFFFAOYSA-N
XLogP1.52
TPSA91.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4,6-dimethyl-2-(methylamino)-5-nitropyridine-3-carbonitrile 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 4,6-dimethyl-2-(methylamino)-5-nitropyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-(methylamino)-5-nitropyridine-3-carbonitrile (CID 2726058) is 4,6-dimethyl-2-(methylamino)-5-nitropyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-(methylamino)-5-nitropyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-(methylamino)-5-nitropyridine-3-carbonitrile is CNc1nc(C)c([N+](=O)[O-])c(C)c1C#N.
What is the InChIKey of 4,6-dimethyl-2-(methylamino)-5-nitropyridine-3-carbonitrile?
The InChIKey is OSCPQIFJZOCJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-5-7(4-10)9(11-3)12-6(2)8(5)13(14)15/h1-3H3,(H,11,12).
What are the key properties of 4,6-dimethyl-2-(methylamino)-5-nitropyridine-3-carbonitrile?
4,6-dimethyl-2-(methylamino)-5-nitropyridine-3-carbonitrile has a molecular weight of 206.20 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(methylamino)-5-nitropyridine-3-carbonitrile is sourced from PubChem (CID 2726058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).