1-[2-(dimethylamino)ethyl]-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile

C18H21N3O — CID 82099097

IUPAC1-[2-(dimethylamino)ethyl]-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(-c2ccc(C#N)c(=O)n2CCN(C)C)cc1C
InChIInChI=1S/C18H21N3O/c1-13-5-6-15(11-14(13)2)17-8-7-16(12-19)18(22)21(17)10-9-20(3)4/h5-8,11H,9-10H2,1-4H3
InChIKeyZZEIJTQMHKCZDD-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.57
Rot. Bonds4

About 1-[2-(dimethylamino)ethyl]-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile

1-[2-(dimethylamino)ethyl]-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile (PubChem CID 82099097) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile
PubChem CID82099097
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name1-[2-(dimethylamino)ethyl]-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(-c2ccc(C#N)c(=O)n2CCN(C)C)cc1C
InChIInChI=1S/C18H21N3O/c1-13-5-6-15(11-14(13)2)17-8-7-16(12-19)18(22)21(17)10-9-20(3)4/h5-8,11H,9-10H2,1-4H3
InChIKeyZZEIJTQMHKCZDD-UHFFFAOYSA-N
XLogP2.57
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-dimethylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carbonitrile
CID 82099092
1-(3-aminopropyl)-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile
CID 82146491
1-[2-(dimethylamino)ethyl]-2-oxo-6-phenylpyridine-3-carbonitrile
CID 82099044
6-(3,4-dimethylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile
CID 82099080
1-(2-aminobutyl)-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile
CID 82146896
1-ethyl-6-(4-methoxy-3-methylphenyl)-2-oxopyridine-3-carbonitrile
CID 82517340
1-[3-(dimethylamino)propyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 82099513
2-[6-(3,4-dimethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetonitrile
CID 82520075
6-(4-fluorophenyl)-2-oxo-1-propylpyridine-3-carbonitrile
CID 82099180
6-(3,4-dimethoxyphenyl)-2-oxo-1-prop-2-ynylpyridine-3-carbonitrile
CID 82099327
6-(4-methylphenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
CID 82099063
6-(4-tert-butylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carbonitrile
CID 82099274

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile (CID 82099097) is 1-[2-(dimethylamino)ethyl]-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile is Cc1ccc(-c2ccc(C#N)c(=O)n2CCN(C)C)cc1C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is ZZEIJTQMHKCZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13-5-6-15(11-14(13)2)17-8-7-16(12-19)18(22)21(17)10-9-20(3)4/h5-8,11H,9-10H2,1-4H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile?
1-[2-(dimethylamino)ethyl]-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 295.39 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 82099097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).