2-[(3-amino-5-methyl-2-pyridinyl)amino]-5-bromobenzonitrile

C13H11BrN4 — CID 82702734

IUPAC2-[(3-amino-5-methyl-2-pyridinyl)amino]-5-bromobenzonitrile
SMILESCc1cnc(Nc2ccc(Br)cc2C#N)c(N)c1
InChIInChI=1S/C13H11BrN4/c1-8-4-11(16)13(17-7-8)18-12-3-2-10(14)5-9(12)6-15/h2-5,7H,16H2,1H3,(H,17,18)
InChIKeyCQIUANIFYYGWJR-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.35
Rot. Bonds2

About 2-[(3-amino-5-methyl-2-pyridinyl)amino]-5-bromobenzonitrile

2-[(3-amino-5-methyl-2-pyridinyl)amino]-5-bromobenzonitrile (PubChem CID 82702734) has the molecular formula C13H11BrN4 and a molecular weight of 303.16 g/mol. Its IUPAC name is 2-[(3-amino-5-methyl-2-pyridinyl)amino]-5-bromobenzonitrile.

Molecular Properties

Compound Name2-[(3-amino-5-methyl-2-pyridinyl)amino]-5-bromobenzonitrile
PubChem CID82702734
Molecular FormulaC13H11BrN4
Molecular Weight303.16 g/mol
Exact Mass302.02
IUPAC Name2-[(3-amino-5-methyl-2-pyridinyl)amino]-5-bromobenzonitrile
SMILESCc1cnc(Nc2ccc(Br)cc2C#N)c(N)c1
InChIInChI=1S/C13H11BrN4/c1-8-4-11(16)13(17-7-8)18-12-3-2-10(14)5-9(12)6-15/h2-5,7H,16H2,1H3,(H,17,18)
InChIKeyCQIUANIFYYGWJR-UHFFFAOYSA-N
XLogP3.35
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3-amino-5-methyl-2-pyridinyl)amino]-5-bromobenzonitrile 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-N-(4-bromo-2-fluorophenyl)-5-methylpyridine-2,3-diamine
CID 66278195
2-N-(4-bromo-2-chlorophenyl)-5-methylpyridine-2,3-diamine
CID 66278414
2-[(3-amino-6-methyl-2-pyridinyl)amino]-5-bromobenzonitrile
CID 82702336
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-5-bromobenzonitrile
CID 82713314
5-bromo-2-(4-methylanilino)benzonitrile
CID 114890405
5-amino-2-(2,4-dibromoanilino)pyridine-3-carbonitrile
CID 54952819
5-amino-6-(2-cyano-4-fluoroanilino)pyridine-3-carbonitrile
CID 103468902
5-bromo-2-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]benzonitrile
CID 82713129
5-bromo-2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]benzonitrile
CID 82703603
4-[(3-amino-5-bromo-2-pyridinyl)amino]-3-bromobenzonitrile
CID 107787260
5-bromo-2-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]benzonitrile
CID 82698298
5-bromo-2-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]benzonitrile
CID 82697948

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-5-methyl-2-pyridinyl)amino]-5-bromobenzonitrile?
The IUPAC name of 2-[(3-amino-5-methyl-2-pyridinyl)amino]-5-bromobenzonitrile (CID 82702734) is 2-[(3-amino-5-methyl-2-pyridinyl)amino]-5-bromobenzonitrile.
What is the SMILES notation for 2-[(3-amino-5-methyl-2-pyridinyl)amino]-5-bromobenzonitrile?
The canonical SMILES for 2-[(3-amino-5-methyl-2-pyridinyl)amino]-5-bromobenzonitrile is Cc1cnc(Nc2ccc(Br)cc2C#N)c(N)c1.
What is the InChIKey of 2-[(3-amino-5-methyl-2-pyridinyl)amino]-5-bromobenzonitrile?
The InChIKey is CQIUANIFYYGWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4/c1-8-4-11(16)13(17-7-8)18-12-3-2-10(14)5-9(12)6-15/h2-5,7H,16H2,1H3,(H,17,18).
What are the key properties of 2-[(3-amino-5-methyl-2-pyridinyl)amino]-5-bromobenzonitrile?
2-[(3-amino-5-methyl-2-pyridinyl)amino]-5-bromobenzonitrile has a molecular weight of 303.16 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-5-methyl-2-pyridinyl)amino]-5-bromobenzonitrile is sourced from PubChem (CID 82702734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).