4-[(4-amino-5-methyl-2-pyridinyl)amino]benzene-1,2-dicarbonitrile

C14H11N5 — CID 107787129

IUPAC4-[(4-amino-5-methyl-2-pyridinyl)amino]benzene-1,2-dicarbonitrile
SMILESCc1cnc(Nc2ccc(C#N)c(C#N)c2)cc1N
InChIInChI=1S/C14H11N5/c1-9-8-18-14(5-13(9)17)19-12-3-2-10(6-15)11(4-12)7-16/h2-5,8H,1H3,(H3,17,18,19)
InChIKeyZMMUFYLZOSWWBT-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.46
Rot. Bonds2

About 4-[(4-amino-5-methyl-2-pyridinyl)amino]benzene-1,2-dicarbonitrile

4-[(4-amino-5-methyl-2-pyridinyl)amino]benzene-1,2-dicarbonitrile (PubChem CID 107787129) has the molecular formula C14H11N5 and a molecular weight of 249.28 g/mol. Its IUPAC name is 4-[(4-amino-5-methyl-2-pyridinyl)amino]benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-[(4-amino-5-methyl-2-pyridinyl)amino]benzene-1,2-dicarbonitrile
PubChem CID107787129
Molecular FormulaC14H11N5
Molecular Weight249.28 g/mol
Exact Mass249.10
IUPAC Name4-[(4-amino-5-methyl-2-pyridinyl)amino]benzene-1,2-dicarbonitrile
SMILESCc1cnc(Nc2ccc(C#N)c(C#N)c2)cc1N
InChIInChI=1S/C14H11N5/c1-9-8-18-14(5-13(9)17)19-12-3-2-10(6-15)11(4-12)7-16/h2-5,8H,1H3,(H3,17,18,19)
InChIKeyZMMUFYLZOSWWBT-UHFFFAOYSA-N
XLogP2.46
TPSA98.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(4-amino-5-methyl-2-pyridinyl)amino]benzene-1,2-dicarbonitrile 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

4-[(4-amino-5-methyl-2-pyridinyl)amino]-2-bromobenzonitrile
CID 112736027
4-[(4-amino-5-methyl-2-pyridinyl)amino]benzonitrile
CID 83266611
2-N-(3-chloro-4-methylphenyl)-5-methylpyridine-2,4-diamine
CID 83266608
2-N-(2,3-dihydro-1H-inden-5-yl)-5-methylpyridine-2,4-diamine
CID 83265215
3-[(4-amino-5-methyl-2-pyridinyl)amino]-4-methylbenzonitrile
CID 83266542
4-[(4-amino-5-methyl-2-pyridinyl)amino]-3-chlorobenzonitrile
CID 107807041
5-(3,4-dicyanoanilino)pyrazine-2-carboxylic acid
CID 107791186
2-N-(3-fluoro-5-methylphenyl)-5-methylpyridine-2,4-diamine
CID 83266561
4-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]benzene-1,2-dicarbonitrile
CID 107795039
2-N-(3,4-dimethylphenyl)-4-methylpyridine-2,5-diamine
CID 79020766
2-amino-5-(4-amino-3-cyanoanilino)benzonitrile
CID 162352092
4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]benzene-1,2-dicarbonitrile
CID 107794960

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-5-methyl-2-pyridinyl)amino]benzene-1,2-dicarbonitrile?
The IUPAC name of 4-[(4-amino-5-methyl-2-pyridinyl)amino]benzene-1,2-dicarbonitrile (CID 107787129) is 4-[(4-amino-5-methyl-2-pyridinyl)amino]benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-[(4-amino-5-methyl-2-pyridinyl)amino]benzene-1,2-dicarbonitrile?
The canonical SMILES for 4-[(4-amino-5-methyl-2-pyridinyl)amino]benzene-1,2-dicarbonitrile is Cc1cnc(Nc2ccc(C#N)c(C#N)c2)cc1N.
What is the InChIKey of 4-[(4-amino-5-methyl-2-pyridinyl)amino]benzene-1,2-dicarbonitrile?
The InChIKey is ZMMUFYLZOSWWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5/c1-9-8-18-14(5-13(9)17)19-12-3-2-10(6-15)11(4-12)7-16/h2-5,8H,1H3,(H3,17,18,19).
What are the key properties of 4-[(4-amino-5-methyl-2-pyridinyl)amino]benzene-1,2-dicarbonitrile?
4-[(4-amino-5-methyl-2-pyridinyl)amino]benzene-1,2-dicarbonitrile has a molecular weight of 249.28 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-5-methyl-2-pyridinyl)amino]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 107787129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).