4,6-dimethyl-2-(methylamino)-5-nitropyridin-1-ium-3-carbonitrile

C9H11N4O2+ — CID 7219368

IUPAC4,6-dimethyl-2-(methylamino)-5-nitropyridin-1-ium-3-carbonitrile
SMILESCNc1[nH+]c(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)/p+1
InChIKeyOSCPQIFJZOCJIM-UHFFFAOYSA-O
MW207.21 g/mol
LogP0.94
Rot. Bonds2

About 4,6-dimethyl-2-(methylamino)-5-nitropyridin-1-ium-3-carbonitrile

4,6-dimethyl-2-(methylamino)-5-nitropyridin-1-ium-3-carbonitrile (PubChem CID 7219368) has the molecular formula C9H11N4O2+ and a molecular weight of 207.21 g/mol. Its IUPAC name is 4,6-dimethyl-2-(methylamino)-5-nitropyridin-1-ium-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-(methylamino)-5-nitropyridin-1-ium-3-carbonitrile
PubChem CID7219368
Molecular FormulaC9H11N4O2+
Molecular Weight207.21 g/mol
Exact Mass207.09
IUPAC Name4,6-dimethyl-2-(methylamino)-5-nitropyridin-1-ium-3-carbonitrile
SMILESCNc1[nH+]c(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)/p+1
InChIKeyOSCPQIFJZOCJIM-UHFFFAOYSA-O
XLogP0.94
TPSA93.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-nitropyridin-1-ium-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

Related Compounds

2-[(2-methoxyphenyl)methylamino]-4,6-dimethyl-5-nitropyridin-1-ium-3-carbonitrile
CID 7352897
4,6-dimethyl-2-(methylamino)-5-nitropyridine-3-carbonitrile
CID 2726058
2-hydrazinyl-4,6-dimethyl-5-nitropyridine-3-carbonitrile
CID 91622973
6-amino-2,4-dimethyl-5-nitropyridine-3-carbonitrile
CID 54420031
4,5-dichloro-3,6-dinitrobenzene-1,2-dicarbonitrile
CID 21466910
4-anilino-2,6-dimethyl-3-nitrobenzonitrile
CID 173209985
6-methyl-4-(methylamino)-3-nitro-2-phenylbenzonitrile
CID 102015085
2-cyano-4-methyl-3-nitrobenzenesulfonyl chloride
CID 131531171
2-amino-4-methyl-5-nitrothiophene-3-carbonitrile
CID 71365576
methyl 2-(2-cyano-4-ethyl-3-nitrophenyl)acetate
CID 134613987
3-methyl-2-nitro-6-(trifluoromethyl)benzonitrile
CID 174554770
ethyl 2-(4-chloro-3-cyano-2-nitrophenyl)acetate
CID 134653348

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(methylamino)-5-nitropyridin-1-ium-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-(methylamino)-5-nitropyridin-1-ium-3-carbonitrile (CID 7219368) is 4,6-dimethyl-2-(methylamino)-5-nitropyridin-1-ium-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-(methylamino)-5-nitropyridin-1-ium-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-(methylamino)-5-nitropyridin-1-ium-3-carbonitrile is CNc1[nH+]c(C)c([N+](=O)[O-])c(C)c1C#N.
What is the InChIKey of 4,6-dimethyl-2-(methylamino)-5-nitropyridin-1-ium-3-carbonitrile?
The InChIKey is OSCPQIFJZOCJIM-UHFFFAOYSA-O. 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)/p+1.
What are the key properties of 4,6-dimethyl-2-(methylamino)-5-nitropyridin-1-ium-3-carbonitrile?
4,6-dimethyl-2-(methylamino)-5-nitropyridin-1-ium-3-carbonitrile has a molecular weight of 207.21 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(methylamino)-5-nitropyridin-1-ium-3-carbonitrile is sourced from PubChem (CID 7219368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).