2-(dimethylamino)-6-(4-ethylphenyl)pyridine-3-carbonitrile

C16H17N3 — CID 82119527

IUPAC2-(dimethylamino)-6-(4-ethylphenyl)pyridine-3-carbonitrile
SMILESCCc1ccc(-c2ccc(C#N)c(N(C)C)n2)cc1
InChIInChI=1S/C16H17N3/c1-4-12-5-7-13(8-6-12)15-10-9-14(11-17)16(18-15)19(2)3/h5-10H,4H2,1-3H3
InChIKeyBUOGFBHZTKHZAZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.25
Rot. Bonds3

About 2-(dimethylamino)-6-(4-ethylphenyl)pyridine-3-carbonitrile

2-(dimethylamino)-6-(4-ethylphenyl)pyridine-3-carbonitrile (PubChem CID 82119527) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(dimethylamino)-6-(4-ethylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(dimethylamino)-6-(4-ethylphenyl)pyridine-3-carbonitrile
PubChem CID82119527
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name2-(dimethylamino)-6-(4-ethylphenyl)pyridine-3-carbonitrile
SMILESCCc1ccc(-c2ccc(C#N)c(N(C)C)n2)cc1
InChIInChI=1S/C16H17N3/c1-4-12-5-7-13(8-6-12)15-10-9-14(11-17)16(18-15)19(2)3/h5-10H,4H2,1-3H3
InChIKeyBUOGFBHZTKHZAZ-UHFFFAOYSA-N
XLogP3.25
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-6-(4-ethylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(dimethylamino)-6-(4-ethylphenyl)pyridine-3-carbonitrile (CID 82119527) is 2-(dimethylamino)-6-(4-ethylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(dimethylamino)-6-(4-ethylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(dimethylamino)-6-(4-ethylphenyl)pyridine-3-carbonitrile is CCc1ccc(-c2ccc(C#N)c(N(C)C)n2)cc1.
What is the InChIKey of 2-(dimethylamino)-6-(4-ethylphenyl)pyridine-3-carbonitrile?
The InChIKey is BUOGFBHZTKHZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-4-12-5-7-13(8-6-12)15-10-9-14(11-17)16(18-15)19(2)3/h5-10H,4H2,1-3H3.
What are the key properties of 2-(dimethylamino)-6-(4-ethylphenyl)pyridine-3-carbonitrile?
2-(dimethylamino)-6-(4-ethylphenyl)pyridine-3-carbonitrile has a molecular weight of 251.33 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-6-(4-ethylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 82119527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).