4-[(4-cyanophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile

C17H16N4 — CID 133396362

IUPAC4-[(4-cyanophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N(C)Cc2ccc(C#N)cc2)c(C#N)c(C)n1
InChIInChI=1S/C17H16N4/c1-12-8-17(16(10-19)13(2)20-12)21(3)11-15-6-4-14(9-18)5-7-15/h4-8H,11H2,1-3H3
InChIKeyPJIWRJNNQDNFAL-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.08
Rot. Bonds3

About 4-[(4-cyanophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile

4-[(4-cyanophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 133396362) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[(4-cyanophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(4-cyanophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile
PubChem CID133396362
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name4-[(4-cyanophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N(C)Cc2ccc(C#N)cc2)c(C#N)c(C)n1
InChIInChI=1S/C17H16N4/c1-12-8-17(16(10-19)13(2)20-12)21(3)11-15-6-4-14(9-18)5-7-15/h4-8H,11H2,1-3H3
InChIKeyPJIWRJNNQDNFAL-UHFFFAOYSA-N
XLogP3.08
TPSA63.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,4-difluorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 133396641
4-[ethyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81060716
2,6-dimethyl-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyridine-3-carbonitrile
CID 81060176
4-[3-aminopropyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 115319467
2,6-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile
CID 81061250
4-[2-cyanopropyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81060272
4-[[methyl-(2-methyl-4-pyridinyl)amino]methyl]benzonitrile
CID 133489486
5-[(4-cyanophenyl)methyl-methylamino]pyrazine-2-carbonitrile
CID 133290964
4-[[(5-bromo-3-methyl-2-pyridinyl)-methylamino]methyl]benzonitrile
CID 133373673
2-[(4-cyanophenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 60917666
4-[cycloheptyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81060620
4-[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 133497000

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyanophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-[(4-cyanophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile (CID 133396362) is 4-[(4-cyanophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[(4-cyanophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-[(4-cyanophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(N(C)Cc2ccc(C#N)cc2)c(C#N)c(C)n1.
What is the InChIKey of 4-[(4-cyanophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is PJIWRJNNQDNFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-12-8-17(16(10-19)13(2)20-12)21(3)11-15-6-4-14(9-18)5-7-15/h4-8H,11H2,1-3H3.
What are the key properties of 4-[(4-cyanophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile?
4-[(4-cyanophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 276.34 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyanophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 133396362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).