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

C16H14N4 — CID 60917666

IUPAC2-[(4-cyanophenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NCc2ccc(C#N)cc2)n1
InChIInChI=1S/C16H14N4/c1-11-7-12(2)20-16(15(11)9-18)19-10-14-5-3-13(8-17)4-6-14/h3-7H,10H2,1-2H3,(H,19,20)
InChIKeyTVCMPEGJDAWCRZ-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.05
Rot. Bonds3

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

2-[(4-cyanophenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 60917666) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(4-cyanophenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
PubChem CID60917666
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name2-[(4-cyanophenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NCc2ccc(C#N)cc2)n1
InChIInChI=1S/C16H14N4/c1-11-7-12(2)20-16(15(11)9-18)19-10-14-5-3-13(8-17)4-6-14/h3-7H,10H2,1-2H3,(H,19,20)
InChIKeyTVCMPEGJDAWCRZ-UHFFFAOYSA-N
XLogP3.05
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-aminophenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 62500425
2-[(3-amino-4-methoxyphenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 60971500
4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 47267638
2-[[3-(diethylaminomethyl)phenyl]methylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 78898863
4,6-dimethyl-2-(2-phenylethylamino)pyridine-3-carbonitrile
CID 32677882
4,6-dimethyl-2-[(3-methyl-2-pyridinyl)methylamino]pyridine-3-carbonitrile
CID 63306269
4-(methoxymethyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyridine-3-carbonitrile
CID 720172
4,6-dimethyl-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-3-carbonitrile
CID 62845586
4,6-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-3-carbonitrile
CID 55026390
4-[[(3-methyl-2-pyridinyl)amino]methyl]benzonitrile
CID 60704932
4-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]benzonitrile
CID 80822833
4-[[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)amino]methyl]benzonitrile
CID 154287070

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-[(4-cyanophenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile (CID 60917666) is 2-[(4-cyanophenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(4-cyanophenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(4-cyanophenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(NCc2ccc(C#N)cc2)n1.
What is the InChIKey of 2-[(4-cyanophenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is TVCMPEGJDAWCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c1-11-7-12(2)20-16(15(11)9-18)19-10-14-5-3-13(8-17)4-6-14/h3-7H,10H2,1-2H3,(H,19,20).
What are the key properties of 2-[(4-cyanophenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile?
2-[(4-cyanophenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 262.32 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 60917666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).