4-[[methyl-(2-methyl-4-pyridinyl)amino]methyl]benzonitrile

C15H15N3 — CID 133489486

IUPAC4-[[methyl-(2-methyl-4-pyridinyl)amino]methyl]benzonitrile
SMILESCc1cc(N(C)Cc2ccc(C#N)cc2)ccn1
InChIInChI=1S/C15H15N3/c1-12-9-15(7-8-17-12)18(2)11-14-5-3-13(10-16)4-6-14/h3-9H,11H2,1-2H3
InChIKeyICAHEXXMTCUZPZ-UHFFFAOYSA-N
MW237.31 g/mol
LogP2.90
Rot. Bonds3

About 4-[[methyl-(2-methyl-4-pyridinyl)amino]methyl]benzonitrile

4-[[methyl-(2-methyl-4-pyridinyl)amino]methyl]benzonitrile (PubChem CID 133489486) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 4-[[methyl-(2-methyl-4-pyridinyl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[methyl-(2-methyl-4-pyridinyl)amino]methyl]benzonitrile
PubChem CID133489486
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name4-[[methyl-(2-methyl-4-pyridinyl)amino]methyl]benzonitrile
SMILESCc1cc(N(C)Cc2ccc(C#N)cc2)ccn1
InChIInChI=1S/C15H15N3/c1-12-9-15(7-8-17-12)18(2)11-14-5-3-13(10-16)4-6-14/h3-9H,11H2,1-2H3
InChIKeyICAHEXXMTCUZPZ-UHFFFAOYSA-N
XLogP2.90
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-cyanophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 133396362
4-[[(5-bromo-3-methyl-2-pyridinyl)-methylamino]methyl]benzonitrile
CID 133373673
4-[methyl-[(3-methylphenyl)methyl]amino]pyridine-2-carbonitrile
CID 62925132
2-methylpyridine-4-carbonitrile
CID 118703758
2-chloro-N-[(4-chlorophenyl)methyl]-N-methylpyridin-4-amine
CID 102824052
6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carbonitrile
CID 28799351
5-[(4-cyanophenyl)methyl-methylamino]pyrazine-2-carbonitrile
CID 133290964
4-[(N,3,5-trimethylanilino)methyl]pyridine-2-carbonitrile
CID 63884612
6-[benzyl(methyl)amino]-5-methylpyridine-3-carbonitrile
CID 102544753
4-[methyl(1,3-thiazol-2-ylmethyl)amino]benzonitrile
CID 79214308
4-[[3-(dimethylamino)phenyl]methyl-methylamino]benzonitrile
CID 133385857
3-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]benzonitrile
CID 62981075

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-(2-methyl-4-pyridinyl)amino]methyl]benzonitrile?
The IUPAC name of 4-[[methyl-(2-methyl-4-pyridinyl)amino]methyl]benzonitrile (CID 133489486) is 4-[[methyl-(2-methyl-4-pyridinyl)amino]methyl]benzonitrile.
What is the SMILES notation for 4-[[methyl-(2-methyl-4-pyridinyl)amino]methyl]benzonitrile?
The canonical SMILES for 4-[[methyl-(2-methyl-4-pyridinyl)amino]methyl]benzonitrile is Cc1cc(N(C)Cc2ccc(C#N)cc2)ccn1.
What is the InChIKey of 4-[[methyl-(2-methyl-4-pyridinyl)amino]methyl]benzonitrile?
The InChIKey is ICAHEXXMTCUZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-12-9-15(7-8-17-12)18(2)11-14-5-3-13(10-16)4-6-14/h3-9H,11H2,1-2H3.
What are the key properties of 4-[[methyl-(2-methyl-4-pyridinyl)amino]methyl]benzonitrile?
4-[[methyl-(2-methyl-4-pyridinyl)amino]methyl]benzonitrile has a molecular weight of 237.31 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-(2-methyl-4-pyridinyl)amino]methyl]benzonitrile is sourced from PubChem (CID 133489486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).