4-[3-aminopropyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile

C12H18N4 — CID 115319467

IUPAC4-[3-aminopropyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N(C)CCCN)c(C#N)c(C)n1
InChIInChI=1S/C12H18N4/c1-9-7-12(16(3)6-4-5-13)11(8-14)10(2)15-9/h7H,4-6,13H2,1-3H3
InChIKeyRCWSZAIZVGVXMZ-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.36
Rot. Bonds4

About 4-[3-aminopropyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile

4-[3-aminopropyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 115319467) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-[3-aminopropyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[3-aminopropyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile
PubChem CID115319467
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name4-[3-aminopropyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N(C)CCCN)c(C#N)c(C)n1
InChIInChI=1S/C12H18N4/c1-9-7-12(16(3)6-4-5-13)11(8-14)10(2)15-9/h7H,4-6,13H2,1-3H3
InChIKeyRCWSZAIZVGVXMZ-UHFFFAOYSA-N
XLogP1.36
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-aminopropyl(methyl)amino]-2,6-dimethylpyridine-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

4-[ethyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81060716
4-[2-cyanopropyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81060272
4-[(4-cyanophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 133396362
4-[(3,4-difluorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 133396641
2,6-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile
CID 81061250
4-[(3-amino-2,2-dimethylpropyl)-propylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81051803
2,6-dimethyl-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyridine-3-carbonitrile
CID 81060176
4-[cycloheptyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81060620
2,6-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile
CID 81061241
4-[2-cyanopropyl(ethyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81060184
4-[3-aminopropyl(methyl)amino]-3-chlorobenzonitrile
CID 115319353
2-[3-aminopropyl(methyl)amino]-6-ethylsulfanylbenzonitrile
CID 113386029

Frequently Asked Questions

What is the IUPAC name of 4-[3-aminopropyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-[3-aminopropyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile (CID 115319467) is 4-[3-aminopropyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[3-aminopropyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-[3-aminopropyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(N(C)CCCN)c(C#N)c(C)n1.
What is the InChIKey of 4-[3-aminopropyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is RCWSZAIZVGVXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-9-7-12(16(3)6-4-5-13)11(8-14)10(2)15-9/h7H,4-6,13H2,1-3H3.
What are the key properties of 4-[3-aminopropyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile?
4-[3-aminopropyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 218.30 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-aminopropyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 115319467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).