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

C13H16N4 — CID 81060272

IUPAC4-[2-cyanopropyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N(C)CC(C)C#N)c(C#N)c(C)n1
InChIInChI=1S/C13H16N4/c1-9(6-14)8-17(4)13-5-10(2)16-11(3)12(13)7-15/h5,9H,8H2,1-4H3
InChIKeyPZHXUOMFKHCCIB-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.17
Rot. Bonds3

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

4-[2-cyanopropyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 81060272) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-[2-cyanopropyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[2-cyanopropyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile
PubChem CID81060272
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name4-[2-cyanopropyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N(C)CC(C)C#N)c(C#N)c(C)n1
InChIInChI=1S/C13H16N4/c1-9(6-14)8-17(4)13-5-10(2)16-11(3)12(13)7-15/h5,9H,8H2,1-4H3
InChIKeyPZHXUOMFKHCCIB-UHFFFAOYSA-N
XLogP2.17
TPSA63.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-cyanopropyl(ethyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81060184
4-[ethyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81060716
4-[3-aminopropyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 115319467
4-[(4-cyanophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 133396362
2,6-dimethyl-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyridine-3-carbonitrile
CID 81060176
2,6-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile
CID 81061241
2,6-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile
CID 81061250
4-[(3,4-difluorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 133396641
4-[cycloheptyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81060620
4-[1-(diethylamino)propan-2-ylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81060744
2-[2-cyanopropyl(methyl)amino]benzonitrile
CID 60966613
2-methyl-3-[methyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80811197

Frequently Asked Questions

What is the IUPAC name of 4-[2-cyanopropyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-[2-cyanopropyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile (CID 81060272) is 4-[2-cyanopropyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[2-cyanopropyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-[2-cyanopropyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(N(C)CC(C)C#N)c(C#N)c(C)n1.
What is the InChIKey of 4-[2-cyanopropyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is PZHXUOMFKHCCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-9(6-14)8-17(4)13-5-10(2)16-11(3)12(13)7-15/h5,9H,8H2,1-4H3.
What are the key properties of 4-[2-cyanopropyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile?
4-[2-cyanopropyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 228.30 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyanopropyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 81060272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).