4-(2-cyano-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile

C16H14N4 — CID 107805419

IUPAC4-(2-cyano-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(Nc2cccc(C)c2C#N)c(C#N)c(C)n1
InChIInChI=1S/C16H14N4/c1-10-5-4-6-15(13(10)8-17)20-16-7-11(2)19-12(3)14(16)9-18/h4-7H,1-3H3,(H,19,20)
InChIKeyBHDZGPPPSYZPIP-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.49
Rot. Bonds2

About 4-(2-cyano-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile

4-(2-cyano-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 107805419) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 4-(2-cyano-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2-cyano-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile
PubChem CID107805419
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name4-(2-cyano-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(Nc2cccc(C)c2C#N)c(C#N)c(C)n1
InChIInChI=1S/C16H14N4/c1-10-5-4-6-15(13(10)8-17)20-16-7-11(2)19-12(3)14(16)9-18/h4-7H,1-3H3,(H,19,20)
InChIKeyBHDZGPPPSYZPIP-UHFFFAOYSA-N
XLogP3.49
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-cyano-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile 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-(3-bromo-2-methylanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 107635030
2-(2-cyano-3-methylanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 107805421
4-(2-ethylanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 81060340
2-(2-cyano-3-methylanilino)-6-methylpyridine-4-carbonitrile
CID 107805463
2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 114002705
2,6-dimethyl-4-(2,4,5-trichloroanilino)pyridine-3-carbonitrile
CID 81060425
2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 107802085
4-(4-methoxy-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 81060534
2,6-dimethyl-4-[(3-methylphenyl)methylamino]pyridine-3-carbonitrile
CID 81060441
N-[4-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]phenyl]-2-methylpropanamide
CID 133396343
4-(4-chloro-3-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 81060361
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 107800146

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyano-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-(2-cyano-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile (CID 107805419) is 4-(2-cyano-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(2-cyano-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-(2-cyano-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(Nc2cccc(C)c2C#N)c(C#N)c(C)n1.
What is the InChIKey of 4-(2-cyano-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is BHDZGPPPSYZPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c1-10-5-4-6-15(13(10)8-17)20-16-7-11(2)19-12(3)14(16)9-18/h4-7H,1-3H3,(H,19,20).
What are the key properties of 4-(2-cyano-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile?
4-(2-cyano-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 262.32 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyano-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 107805419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).