2-amino-5-[methyl(pyridin-3-ylmethyl)amino]benzonitrile

C14H14N4 — CID 113323849

IUPAC2-amino-5-[methyl(pyridin-3-ylmethyl)amino]benzonitrile
SMILESCN(Cc1cccnc1)c1ccc(N)c(C#N)c1
InChIInChI=1S/C14H14N4/c1-18(10-11-3-2-6-17-9-11)13-4-5-14(16)12(7-13)8-15/h2-7,9H,10,16H2,1H3
InChIKeyGCPPAVRVGISQMZ-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.17
Rot. Bonds3

About 2-amino-5-[methyl(pyridin-3-ylmethyl)amino]benzonitrile

2-amino-5-[methyl(pyridin-3-ylmethyl)amino]benzonitrile (PubChem CID 113323849) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-amino-5-[methyl(pyridin-3-ylmethyl)amino]benzonitrile.

Molecular Properties

Compound Name2-amino-5-[methyl(pyridin-3-ylmethyl)amino]benzonitrile
PubChem CID113323849
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name2-amino-5-[methyl(pyridin-3-ylmethyl)amino]benzonitrile
SMILESCN(Cc1cccnc1)c1ccc(N)c(C#N)c1
InChIInChI=1S/C14H14N4/c1-18(10-11-3-2-6-17-9-11)13-4-5-14(16)12(7-13)8-15/h2-7,9H,10,16H2,1H3
InChIKeyGCPPAVRVGISQMZ-UHFFFAOYSA-N
XLogP2.17
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-5-[methyl(pyridin-3-ylmethyl)amino]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

2-amino-5-[methyl(pyridin-4-ylmethyl)amino]benzonitrile
CID 67884103
2-amino-5-[(3-cyanophenyl)methyl-methylamino]benzonitrile
CID 115499440
2-amino-5-[(2-bromophenyl)methyl-methylamino]benzonitrile
CID 115499199
5-N-methyl-5-N-(pyridin-3-ylmethyl)pyridine-3,5-diamine
CID 104533006
5-amino-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-carbonitrile
CID 103467604
3-amino-5-[methyl(pyridin-3-ylmethyl)amino]thiophene-2-carbonitrile
CID 103509196
3-amino-5-[methyl(pyridin-3-ylmethyl)amino]-1,2-thiazole-4-carbonitrile
CID 103379514
2-amino-N-methyl-4-[methyl(pyridin-3-ylmethyl)amino]benzenesulfonamide
CID 80641227
2-amino-5-[(2-methoxyphenyl)methyl-methylamino]benzonitrile
CID 115499202
2-amino-5-[2,2-dimethylpropyl(methyl)amino]benzonitrile
CID 115499344
2-amino-5-[methyl(2-methylpropyl)amino]benzonitrile
CID 115499082
4-[methyl(pyridin-3-ylmethyl)amino]benzoic acid
CID 43563540

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[methyl(pyridin-3-ylmethyl)amino]benzonitrile?
The IUPAC name of 2-amino-5-[methyl(pyridin-3-ylmethyl)amino]benzonitrile (CID 113323849) is 2-amino-5-[methyl(pyridin-3-ylmethyl)amino]benzonitrile.
What is the SMILES notation for 2-amino-5-[methyl(pyridin-3-ylmethyl)amino]benzonitrile?
The canonical SMILES for 2-amino-5-[methyl(pyridin-3-ylmethyl)amino]benzonitrile is CN(Cc1cccnc1)c1ccc(N)c(C#N)c1.
What is the InChIKey of 2-amino-5-[methyl(pyridin-3-ylmethyl)amino]benzonitrile?
The InChIKey is GCPPAVRVGISQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-18(10-11-3-2-6-17-9-11)13-4-5-14(16)12(7-13)8-15/h2-7,9H,10,16H2,1H3.
What are the key properties of 2-amino-5-[methyl(pyridin-3-ylmethyl)amino]benzonitrile?
2-amino-5-[methyl(pyridin-3-ylmethyl)amino]benzonitrile has a molecular weight of 238.29 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[methyl(pyridin-3-ylmethyl)amino]benzonitrile is sourced from PubChem (CID 113323849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).