1-(3-aminopropyl)-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile

C17H19N3O — CID 82146491

IUPAC1-(3-aminopropyl)-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(-c2ccc(C#N)c(=O)n2CCCN)cc1C
InChIInChI=1S/C17H19N3O/c1-12-4-5-14(10-13(12)2)16-7-6-15(11-19)17(21)20(16)9-3-8-18/h4-7,10H,3,8-9,18H2,1-2H3
InChIKeyWPLZSOTZVIQUFY-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.35
Rot. Bonds4

About 1-(3-aminopropyl)-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile

1-(3-aminopropyl)-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile (PubChem CID 82146491) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(3-aminopropyl)-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(3-aminopropyl)-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile
PubChem CID82146491
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-(3-aminopropyl)-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(-c2ccc(C#N)c(=O)n2CCCN)cc1C
InChIInChI=1S/C17H19N3O/c1-12-4-5-14(10-13(12)2)16-7-6-15(11-19)17(21)20(16)9-3-8-18/h4-7,10H,3,8-9,18H2,1-2H3
InChIKeyWPLZSOTZVIQUFY-UHFFFAOYSA-N
XLogP2.35
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-dimethylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carbonitrile
CID 82099092
1-[2-(dimethylamino)ethyl]-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile
CID 82099097
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-(4-aminobutyl)-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
CID 82146528
1-ethyl-6-(4-methoxy-3-methylphenyl)-2-oxopyridine-3-carbonitrile
CID 82517340
1-(2-aminoethyl)-6-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82146449
3-amino-1-butyl-6-(3,4-dimethylphenyl)pyridin-2-one
CID 82466882
6-(4-chlorophenyl)-1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile
CID 82099168
1-butyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
CID 82099181
1-butyl-6-(2,5-dimethylphenyl)-2-oxopyridine-3-carbonitrile
CID 82519838
6-(4-chlorophenyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile
CID 82519215

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(3-aminopropyl)-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile (CID 82146491) is 1-(3-aminopropyl)-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(3-aminopropyl)-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(3-aminopropyl)-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile is Cc1ccc(-c2ccc(C#N)c(=O)n2CCCN)cc1C.
What is the InChIKey of 1-(3-aminopropyl)-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is WPLZSOTZVIQUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-4-5-14(10-13(12)2)16-7-6-15(11-19)17(21)20(16)9-3-8-18/h4-7,10H,3,8-9,18H2,1-2H3.
What are the key properties of 1-(3-aminopropyl)-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile?
1-(3-aminopropyl)-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 281.36 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 82146491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).