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

C16H14N4 — CID 107805421

IUPAC2-(2-cyano-3-methylanilino)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(Nc2cccc(C)c2C#N)n1
InChIInChI=1S/C16H14N4/c1-10-5-4-6-15(13(10)8-17)20-16-14(9-18)11(2)7-12(3)19-16/h4-7H,1-3H3,(H,19,20)
InChIKeyBXTVDYZYSPECBI-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.49
Rot. Bonds2

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

2-(2-cyano-3-methylanilino)-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 107805421) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-(2-cyano-3-methylanilino)-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-cyano-3-methylanilino)-4,6-dimethylpyridine-3-carbonitrile
PubChem CID107805421
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name2-(2-cyano-3-methylanilino)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(Nc2cccc(C)c2C#N)n1
InChIInChI=1S/C16H14N4/c1-10-5-4-6-15(13(10)8-17)20-16-14(9-18)11(2)7-12(3)19-16/h4-7H,1-3H3,(H,19,20)
InChIKeyBXTVDYZYSPECBI-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

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Related Compounds

4-(2-cyano-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 107805419
2-(2-cyano-3-methylanilino)-6-methylpyridine-4-carbonitrile
CID 107805463
2-(2,4-dimethylanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 750176
2-(3-iodoanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 63511438
2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 114002705
(3-cyano-4,6-dimethyl-2-pyridinyl)cyanamide
CID 11008385
2-(2-fluoro-5-methylanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 61175928
2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 107802085
2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]-6-methylbenzonitrile
CID 107802103
2-(2-bromo-5-fluoroanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 107635298
4,6-dimethyl-2-(3-propan-2-ylanilino)pyridine-3-carbonitrile
CID 63510093
2-(4-fluoroanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 706821

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-3-methylanilino)-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-(2-cyano-3-methylanilino)-4,6-dimethylpyridine-3-carbonitrile (CID 107805421) is 2-(2-cyano-3-methylanilino)-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-cyano-3-methylanilino)-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-(2-cyano-3-methylanilino)-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(Nc2cccc(C)c2C#N)n1.
What is the InChIKey of 2-(2-cyano-3-methylanilino)-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is BXTVDYZYSPECBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c1-10-5-4-6-15(13(10)8-17)20-16-14(9-18)11(2)7-12(3)19-16/h4-7H,1-3H3,(H,19,20).
What are the key properties of 2-(2-cyano-3-methylanilino)-4,6-dimethylpyridine-3-carbonitrile?
2-(2-cyano-3-methylanilino)-4,6-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 2-(2-cyano-3-methylanilino)-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 107805421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).