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

C14H13N3 — CID 43420438

IUPAC2-[methyl(pyridin-4-ylmethyl)amino]benzonitrile
SMILESCN(Cc1ccncc1)c1ccccc1C#N
InChIInChI=1S/C14H13N3/c1-17(11-12-6-8-16-9-7-12)14-5-3-2-4-13(14)10-15/h2-9H,11H2,1H3
InChIKeyODSBGBFNTJBBPH-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.59
Rot. Bonds3

About 2-[methyl(pyridin-4-ylmethyl)amino]benzonitrile

2-[methyl(pyridin-4-ylmethyl)amino]benzonitrile (PubChem CID 43420438) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[methyl(pyridin-4-ylmethyl)amino]benzonitrile.

Molecular Properties

Compound Name2-[methyl(pyridin-4-ylmethyl)amino]benzonitrile
PubChem CID43420438
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name2-[methyl(pyridin-4-ylmethyl)amino]benzonitrile
SMILESCN(Cc1ccncc1)c1ccccc1C#N
InChIInChI=1S/C14H13N3/c1-17(11-12-6-8-16-9-7-12)14-5-3-2-4-13(14)10-15/h2-9H,11H2,1H3
InChIKeyODSBGBFNTJBBPH-UHFFFAOYSA-N
XLogP2.59
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 43420467
2-[(3,4-dimethoxyphenyl)methyl-methylamino]benzonitrile
CID 78913551
2-[(2-aminopyrimidin-4-yl)methyl-methylamino]benzonitrile
CID 112751288
2-[2-(dimethylamino)ethyl-methylamino]benzonitrile
CID 55247342
3-fluoro-4-[methyl(pyridin-4-ylmethyl)amino]benzonitrile
CID 43657358
2-amino-5-[methyl(pyridin-4-ylmethyl)amino]benzonitrile
CID 67884103
3-chloro-N-methyl-2-(methylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
CID 43564469
(1R)-1-[2-[methyl(pyridin-4-ylmethyl)amino]phenyl]propan-1-ol
CID 103959768
2-[benzyl(methyl)amino]-4-chlorobenzonitrile
CID 55180617
2-(dibenzylamino)benzonitrile
CID 83779732
3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-4-carbonitrile
CID 114287741
2-[methyl(2-thiophen-2-ylethyl)amino]benzonitrile
CID 79494134

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyridin-4-ylmethyl)amino]benzonitrile?
The IUPAC name of 2-[methyl(pyridin-4-ylmethyl)amino]benzonitrile (CID 43420438) is 2-[methyl(pyridin-4-ylmethyl)amino]benzonitrile.
What is the SMILES notation for 2-[methyl(pyridin-4-ylmethyl)amino]benzonitrile?
The canonical SMILES for 2-[methyl(pyridin-4-ylmethyl)amino]benzonitrile is CN(Cc1ccncc1)c1ccccc1C#N.
What is the InChIKey of 2-[methyl(pyridin-4-ylmethyl)amino]benzonitrile?
The InChIKey is ODSBGBFNTJBBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-17(11-12-6-8-16-9-7-12)14-5-3-2-4-13(14)10-15/h2-9H,11H2,1H3.
What are the key properties of 2-[methyl(pyridin-4-ylmethyl)amino]benzonitrile?
2-[methyl(pyridin-4-ylmethyl)amino]benzonitrile has a molecular weight of 223.28 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyridin-4-ylmethyl)amino]benzonitrile is sourced from PubChem (CID 43420438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).