2-(2,3-dimethylanilino)-4,6-dimethylpyridine-3-carbonitrile

C16H17N3 — CID 856352

IUPAC2-(2,3-dimethylanilino)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(Nc2cccc(C)c2C)n1
InChIInChI=1S/C16H17N3/c1-10-6-5-7-15(13(10)4)19-16-14(9-17)11(2)8-12(3)18-16/h5-8H,1-4H3,(H,18,19)
InChIKeyGAZIRJJBLIBFSV-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.93
Rot. Bonds2

About 2-(2,3-dimethylanilino)-4,6-dimethylpyridine-3-carbonitrile

2-(2,3-dimethylanilino)-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 856352) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(2,3-dimethylanilino)-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2,3-dimethylanilino)-4,6-dimethylpyridine-3-carbonitrile
PubChem CID856352
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name2-(2,3-dimethylanilino)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(Nc2cccc(C)c2C)n1
InChIInChI=1S/C16H17N3/c1-10-6-5-7-15(13(10)4)19-16-14(9-17)11(2)8-12(3)18-16/h5-8H,1-4H3,(H,18,19)
InChIKeyGAZIRJJBLIBFSV-UHFFFAOYSA-N
XLogP3.93
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 112445
CID 112445
CID 610514
CID 610514
CID 668105
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CID 695136
CID 695136
CID 230471
CID 230471
CID 660897
CID 660897
CID 86346620
CID 86346620
CID 91808026
CID 91808026
CID 121231448
CID 121231448
CID 3793299
CID 3793299
CID 134686794
CID 134686794
CID 706821
CID 706821

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylanilino)-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-(2,3-dimethylanilino)-4,6-dimethylpyridine-3-carbonitrile (CID 856352) is 2-(2,3-dimethylanilino)-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(2,3-dimethylanilino)-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-(2,3-dimethylanilino)-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(Nc2cccc(C)c2C)n1.
What is the InChIKey of 2-(2,3-dimethylanilino)-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is GAZIRJJBLIBFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-10-6-5-7-15(13(10)4)19-16-14(9-17)11(2)8-12(3)18-16/h5-8H,1-4H3,(H,18,19).
What are the key properties of 2-(2,3-dimethylanilino)-4,6-dimethylpyridine-3-carbonitrile?
2-(2,3-dimethylanilino)-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 251.33 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylanilino)-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 856352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).