2-(dimethylamino)-6-(4-ethylphenyl)-5-methylpyridine-3-carbonitrile

C17H19N3 — CID 82122645

IUPAC2-(dimethylamino)-6-(4-ethylphenyl)-5-methylpyridine-3-carbonitrile
SMILESCCc1ccc(-c2nc(N(C)C)c(C#N)cc2C)cc1
InChIInChI=1S/C17H19N3/c1-5-13-6-8-14(9-7-13)16-12(2)10-15(11-18)17(19-16)20(3)4/h6-10H,5H2,1-4H3
InChIKeyWUXDTTCDHASACR-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.56
Rot. Bonds3

About 2-(dimethylamino)-6-(4-ethylphenyl)-5-methylpyridine-3-carbonitrile

2-(dimethylamino)-6-(4-ethylphenyl)-5-methylpyridine-3-carbonitrile (PubChem CID 82122645) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(dimethylamino)-6-(4-ethylphenyl)-5-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(dimethylamino)-6-(4-ethylphenyl)-5-methylpyridine-3-carbonitrile
PubChem CID82122645
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name2-(dimethylamino)-6-(4-ethylphenyl)-5-methylpyridine-3-carbonitrile
SMILESCCc1ccc(-c2nc(N(C)C)c(C#N)cc2C)cc1
InChIInChI=1S/C17H19N3/c1-5-13-6-8-14(9-7-13)16-12(2)10-15(11-18)17(19-16)20(3)4/h6-10H,5H2,1-4H3
InChIKeyWUXDTTCDHASACR-UHFFFAOYSA-N
XLogP3.56
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.56
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)-5-methylpyridine-3-carbonitrile?
The IUPAC name of 2-(dimethylamino)-6-(4-ethylphenyl)-5-methylpyridine-3-carbonitrile (CID 82122645) is 2-(dimethylamino)-6-(4-ethylphenyl)-5-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(dimethylamino)-6-(4-ethylphenyl)-5-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-(dimethylamino)-6-(4-ethylphenyl)-5-methylpyridine-3-carbonitrile is CCc1ccc(-c2nc(N(C)C)c(C#N)cc2C)cc1.
What is the InChIKey of 2-(dimethylamino)-6-(4-ethylphenyl)-5-methylpyridine-3-carbonitrile?
The InChIKey is WUXDTTCDHASACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-5-13-6-8-14(9-7-13)16-12(2)10-15(11-18)17(19-16)20(3)4/h6-10H,5H2,1-4H3.
What are the key properties of 2-(dimethylamino)-6-(4-ethylphenyl)-5-methylpyridine-3-carbonitrile?
2-(dimethylamino)-6-(4-ethylphenyl)-5-methylpyridine-3-carbonitrile has a molecular weight of 265.36 g/mol, XLogP of 3.56, 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)-5-methylpyridine-3-carbonitrile is sourced from PubChem (CID 82122645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).