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

C16H17N3 — CID 750176

IUPAC2-(2,4-dimethylanilino)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1ccc(Nc2nc(C)cc(C)c2C#N)c(C)c1
InChIInChI=1S/C16H17N3/c1-10-5-6-15(12(3)7-10)19-16-14(9-17)11(2)8-13(4)18-16/h5-8H,1-4H3,(H,18,19)
InChIKeyNDHRNSWGIJSGDW-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.93
Rot. Bonds2

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

2-(2,4-dimethylanilino)-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 750176) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2,4-dimethylanilino)-4,6-dimethylpyridine-3-carbonitrile
PubChem CID750176
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name2-(2,4-dimethylanilino)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1ccc(Nc2nc(C)cc(C)c2C#N)c(C)c1
InChIInChI=1S/C16H17N3/c1-10-5-6-15(12(3)7-10)19-16-14(9-17)11(2)8-13(4)18-16/h5-8H,1-4H3,(H,18,19)
InChIKeyNDHRNSWGIJSGDW-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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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylanilino)-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-(2,4-dimethylanilino)-4,6-dimethylpyridine-3-carbonitrile (CID 750176) is 2-(2,4-dimethylanilino)-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(2,4-dimethylanilino)-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-(2,4-dimethylanilino)-4,6-dimethylpyridine-3-carbonitrile is Cc1ccc(Nc2nc(C)cc(C)c2C#N)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylanilino)-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is NDHRNSWGIJSGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-10-5-6-15(12(3)7-10)19-16-14(9-17)11(2)8-13(4)18-16/h5-8H,1-4H3,(H,18,19).
What are the key properties of 2-(2,4-dimethylanilino)-4,6-dimethylpyridine-3-carbonitrile?
2-(2,4-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-(2,4-dimethylanilino)-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 750176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).