2-methyl-6-[(4-methylphenyl)methylamino]pyridine-4-carbonitrile

C15H15N3 — CID 114765767

IUPAC2-methyl-6-[(4-methylphenyl)methylamino]pyridine-4-carbonitrile
SMILESCc1ccc(CNc2cc(C#N)cc(C)n2)cc1
InChIInChI=1S/C15H15N3/c1-11-3-5-13(6-4-11)10-17-15-8-14(9-16)7-12(2)18-15/h3-8H,10H2,1-2H3,(H,17,18)
InChIKeyADMYFYTTXPHICM-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.18
Rot. Bonds3

About 2-methyl-6-[(4-methylphenyl)methylamino]pyridine-4-carbonitrile

2-methyl-6-[(4-methylphenyl)methylamino]pyridine-4-carbonitrile (PubChem CID 114765767) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-methyl-6-[(4-methylphenyl)methylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-[(4-methylphenyl)methylamino]pyridine-4-carbonitrile
PubChem CID114765767
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name2-methyl-6-[(4-methylphenyl)methylamino]pyridine-4-carbonitrile
SMILESCc1ccc(CNc2cc(C#N)cc(C)n2)cc1
InChIInChI=1S/C15H15N3/c1-11-3-5-13(6-4-11)10-17-15-8-14(9-16)7-12(2)18-15/h3-8H,10H2,1-2H3,(H,17,18)
InChIKeyADMYFYTTXPHICM-UHFFFAOYSA-N
XLogP3.18
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-6-[(4-methylphenyl)methylamino]pyridine-4-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-[[4-(2-aminoethyl)phenyl]methylamino]-6-methylpyridine-4-carbonitrile
CID 114769974
2-chloro-6-[(4-methylphenyl)methylamino]pyridine-4-carbonitrile
CID 83072628
2-methyl-6-[(4-nitrophenyl)methylamino]pyridine-4-carbonitrile
CID 114769705
4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 47267638
4-[[4-methyl-6-[(4-methylphenyl)methylamino]pyrimidin-2-yl]amino]benzonitrile
CID 112916468
4-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]benzonitrile
CID 80822833
4-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]benzonitrile
CID 80821850
4-[[(6-chloro-2-methylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 62481548
2-[(2-bromophenyl)methylamino]-6-methylpyridine-4-carbonitrile
CID 114765939
2-[2-(4-hydroxyphenyl)ethylamino]-6-methylpyridine-4-carbonitrile
CID 114765933
2-methyl-6-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile
CID 114766216
6-methyl-2-N-[(4-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112916486

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(4-methylphenyl)methylamino]pyridine-4-carbonitrile?
The IUPAC name of 2-methyl-6-[(4-methylphenyl)methylamino]pyridine-4-carbonitrile (CID 114765767) is 2-methyl-6-[(4-methylphenyl)methylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-methyl-6-[(4-methylphenyl)methylamino]pyridine-4-carbonitrile?
The canonical SMILES for 2-methyl-6-[(4-methylphenyl)methylamino]pyridine-4-carbonitrile is Cc1ccc(CNc2cc(C#N)cc(C)n2)cc1.
What is the InChIKey of 2-methyl-6-[(4-methylphenyl)methylamino]pyridine-4-carbonitrile?
The InChIKey is ADMYFYTTXPHICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-11-3-5-13(6-4-11)10-17-15-8-14(9-16)7-12(2)18-15/h3-8H,10H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-6-[(4-methylphenyl)methylamino]pyridine-4-carbonitrile?
2-methyl-6-[(4-methylphenyl)methylamino]pyridine-4-carbonitrile has a molecular weight of 237.31 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(4-methylphenyl)methylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 114765767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).