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

C15H15N3 — CID 62968974

IUPAC3-[[methyl-(4-methyl-2-pyridinyl)amino]methyl]benzonitrile
SMILESCc1ccnc(N(C)Cc2cccc(C#N)c2)c1
InChIInChI=1S/C15H15N3/c1-12-6-7-17-15(8-12)18(2)11-14-5-3-4-13(9-14)10-16/h3-9H,11H2,1-2H3
InChIKeyWZTXOQZGTYEQII-UHFFFAOYSA-N
MW237.31 g/mol
LogP2.90
Rot. Bonds3

About 3-[[methyl-(4-methyl-2-pyridinyl)amino]methyl]benzonitrile

3-[[methyl-(4-methyl-2-pyridinyl)amino]methyl]benzonitrile (PubChem CID 62968974) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 3-[[methyl-(4-methyl-2-pyridinyl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[methyl-(4-methyl-2-pyridinyl)amino]methyl]benzonitrile
PubChem CID62968974
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name3-[[methyl-(4-methyl-2-pyridinyl)amino]methyl]benzonitrile
SMILESCc1ccnc(N(C)Cc2cccc(C#N)c2)c1
InChIInChI=1S/C15H15N3/c1-12-6-7-17-15(8-12)18(2)11-14-5-3-4-13(9-14)10-16/h3-9H,11H2,1-2H3
InChIKeyWZTXOQZGTYEQII-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

3-[[(6-chloropyrimidin-4-yl)-methylamino]methyl]benzonitrile
CID 55141171
3-[[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]methyl]benzonitrile
CID 137015999
3-[[(5-fluoro-2-pyridinyl)-methylamino]methyl]benzonitrile
CID 62968970
3-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)-methylamino]methyl]benzonitrile
CID 80918950
3-[[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]benzonitrile
CID 64983150
4-[methyl-[(3-methylphenyl)methyl]amino]pyridine-2-carbonitrile
CID 62925132
3-[[(6-chloro-5-methylpyrimidin-4-yl)-methylamino]methyl]benzonitrile
CID 63728710
2-[methyl(pyridin-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 43565692
2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-4-carboxylic acid
CID 61411727
3-[[methyl-[6-(methylamino)pyrazin-2-yl]amino]methyl]benzonitrile
CID 80823593
3-[[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-methylamino]methyl]benzonitrile
CID 133290956
3-[[(2-amino-6-methoxypyrimidin-4-yl)-methylamino]methyl]benzonitrile
CID 103824452

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-(4-methyl-2-pyridinyl)amino]methyl]benzonitrile?
The IUPAC name of 3-[[methyl-(4-methyl-2-pyridinyl)amino]methyl]benzonitrile (CID 62968974) is 3-[[methyl-(4-methyl-2-pyridinyl)amino]methyl]benzonitrile.
What is the SMILES notation for 3-[[methyl-(4-methyl-2-pyridinyl)amino]methyl]benzonitrile?
The canonical SMILES for 3-[[methyl-(4-methyl-2-pyridinyl)amino]methyl]benzonitrile is Cc1ccnc(N(C)Cc2cccc(C#N)c2)c1.
What is the InChIKey of 3-[[methyl-(4-methyl-2-pyridinyl)amino]methyl]benzonitrile?
The InChIKey is WZTXOQZGTYEQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-12-6-7-17-15(8-12)18(2)11-14-5-3-4-13(9-14)10-16/h3-9H,11H2,1-2H3.
What are the key properties of 3-[[methyl-(4-methyl-2-pyridinyl)amino]methyl]benzonitrile?
3-[[methyl-(4-methyl-2-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 3-[[methyl-(4-methyl-2-pyridinyl)amino]methyl]benzonitrile is sourced from PubChem (CID 62968974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).