3-methyl-4-[[methyl(pyridin-3-ylmethyl)amino]methyl]benzonitrile

C16H17N3 — CID 114480999

IUPAC3-methyl-4-[[methyl(pyridin-3-ylmethyl)amino]methyl]benzonitrile
SMILESCc1cc(C#N)ccc1CN(C)Cc1cccnc1
InChIInChI=1S/C16H17N3/c1-13-8-14(9-17)5-6-16(13)12-19(2)11-15-4-3-7-18-10-15/h3-8,10H,11-12H2,1-2H3
InChIKeyLQVDZQLGFDQOQC-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.89
Rot. Bonds4

About 3-methyl-4-[[methyl(pyridin-3-ylmethyl)amino]methyl]benzonitrile

3-methyl-4-[[methyl(pyridin-3-ylmethyl)amino]methyl]benzonitrile (PubChem CID 114480999) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-methyl-4-[[methyl(pyridin-3-ylmethyl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name3-methyl-4-[[methyl(pyridin-3-ylmethyl)amino]methyl]benzonitrile
PubChem CID114480999
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name3-methyl-4-[[methyl(pyridin-3-ylmethyl)amino]methyl]benzonitrile
SMILESCc1cc(C#N)ccc1CN(C)Cc1cccnc1
InChIInChI=1S/C16H17N3/c1-13-8-14(9-17)5-6-16(13)12-19(2)11-15-4-3-7-18-10-15/h3-8,10H,11-12H2,1-2H3
InChIKeyLQVDZQLGFDQOQC-UHFFFAOYSA-N
XLogP2.89
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methyl-4-[[methyl(pyridin-3-ylmethyl)amino]methyl]benzonitrile 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

3-methyl-4-[[methyl(2-phenylethyl)amino]methyl]benzonitrile
CID 114481231
3-[2-[methyl(pyridin-3-ylmethyl)amino]ethoxy]benzonitrile
CID 43563424
4-[[2-aminoethyl(methyl)amino]methyl]-3-methylbenzonitrile
CID 114484816
4-[[2-hydroxypropyl(methyl)amino]methyl]-3-methylbenzonitrile
CID 114481157
3-methyl-4-[[methyl(propan-2-yl)amino]methyl]benzonitrile
CID 114480950
N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1-phenylmethanamine
CID 50950146
N-ethyl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyridin-2-amine
CID 62470634
4-[(2-fluoro-N-methylanilino)methyl]-3-methylbenzonitrile
CID 114481147
[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]methanamine
CID 43248750
4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 43397555
4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 3583133
5-amino-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-carbonitrile
CID 103467604

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[[methyl(pyridin-3-ylmethyl)amino]methyl]benzonitrile?
The IUPAC name of 3-methyl-4-[[methyl(pyridin-3-ylmethyl)amino]methyl]benzonitrile (CID 114480999) is 3-methyl-4-[[methyl(pyridin-3-ylmethyl)amino]methyl]benzonitrile.
What is the SMILES notation for 3-methyl-4-[[methyl(pyridin-3-ylmethyl)amino]methyl]benzonitrile?
The canonical SMILES for 3-methyl-4-[[methyl(pyridin-3-ylmethyl)amino]methyl]benzonitrile is Cc1cc(C#N)ccc1CN(C)Cc1cccnc1.
What is the InChIKey of 3-methyl-4-[[methyl(pyridin-3-ylmethyl)amino]methyl]benzonitrile?
The InChIKey is LQVDZQLGFDQOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-13-8-14(9-17)5-6-16(13)12-19(2)11-15-4-3-7-18-10-15/h3-8,10H,11-12H2,1-2H3.
What are the key properties of 3-methyl-4-[[methyl(pyridin-3-ylmethyl)amino]methyl]benzonitrile?
3-methyl-4-[[methyl(pyridin-3-ylmethyl)amino]methyl]benzonitrile has a molecular weight of 251.33 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[[methyl(pyridin-3-ylmethyl)amino]methyl]benzonitrile is sourced from PubChem (CID 114480999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).