3-methyl-2-(pyridin-3-ylmethylamino)benzonitrile

C14H13N3 — CID 107106421

IUPAC3-methyl-2-(pyridin-3-ylmethylamino)benzonitrile
SMILESCc1cccc(C#N)c1NCc1cccnc1
InChIInChI=1S/C14H13N3/c1-11-4-2-6-13(8-15)14(11)17-10-12-5-3-7-16-9-12/h2-7,9,17H,10H2,1H3
InChIKeyXRUSPSPXLPYZKN-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.87
Rot. Bonds3

About 3-methyl-2-(pyridin-3-ylmethylamino)benzonitrile

3-methyl-2-(pyridin-3-ylmethylamino)benzonitrile (PubChem CID 107106421) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-methyl-2-(pyridin-3-ylmethylamino)benzonitrile.

Molecular Properties

Compound Name3-methyl-2-(pyridin-3-ylmethylamino)benzonitrile
PubChem CID107106421
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name3-methyl-2-(pyridin-3-ylmethylamino)benzonitrile
SMILESCc1cccc(C#N)c1NCc1cccnc1
InChIInChI=1S/C14H13N3/c1-11-4-2-6-13(8-15)14(11)17-10-12-5-3-7-16-9-12/h2-7,9,17H,10H2,1H3
InChIKeyXRUSPSPXLPYZKN-UHFFFAOYSA-N
XLogP2.87
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-(1H-pyrazol-4-ylmethylamino)benzonitrile
CID 107111101
3-methyl-2-[(4-propan-2-ylphenyl)methylamino]benzonitrile
CID 107106759
3-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]benzonitrile
CID 107106754
3-methyl-2-[[4-(trifluoromethyl)phenyl]methylamino]benzonitrile
CID 107106837
2-bromo-3-fluoro-4-(pyridin-3-ylmethylamino)benzonitrile
CID 107533169
3-methyl-2-[(4-methylsulfonylphenyl)methylamino]benzonitrile
CID 107106773
5-bromo-2-(pyridin-3-ylmethylamino)benzonitrile
CID 78994250
2-[(2-hydroxy-2-methylpropyl)amino]-3-methylbenzonitrile
CID 107111136
2,6-dichloro-N-(pyridin-3-ylmethyl)aniline
CID 913968
2-(1,3-benzodioxol-5-ylmethylamino)-3-methylbenzonitrile
CID 107106840
5-nitro-2-(pyridin-3-ylmethylamino)pyridine-3-carbonitrile
CID 55021305
2-(3,3-dimethylbutylamino)-3-methylbenzonitrile
CID 107107286

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(pyridin-3-ylmethylamino)benzonitrile?
The IUPAC name of 3-methyl-2-(pyridin-3-ylmethylamino)benzonitrile (CID 107106421) is 3-methyl-2-(pyridin-3-ylmethylamino)benzonitrile.
What is the SMILES notation for 3-methyl-2-(pyridin-3-ylmethylamino)benzonitrile?
The canonical SMILES for 3-methyl-2-(pyridin-3-ylmethylamino)benzonitrile is Cc1cccc(C#N)c1NCc1cccnc1.
What is the InChIKey of 3-methyl-2-(pyridin-3-ylmethylamino)benzonitrile?
The InChIKey is XRUSPSPXLPYZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-11-4-2-6-13(8-15)14(11)17-10-12-5-3-7-16-9-12/h2-7,9,17H,10H2,1H3.
What are the key properties of 3-methyl-2-(pyridin-3-ylmethylamino)benzonitrile?
3-methyl-2-(pyridin-3-ylmethylamino)benzonitrile has a molecular weight of 223.28 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(pyridin-3-ylmethylamino)benzonitrile is sourced from PubChem (CID 107106421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).