4-[2-(dimethylamino)ethenyl]-5-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile

C17H17N3O2 — CID 88707351

IUPAC4-[2-(dimethylamino)ethenyl]-5-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1cccc(-c2c[nH]c(=O)c(C#N)c2C=CN(C)C)c1
InChIInChI=1S/C17H17N3O2/c1-20(2)8-7-14-15(10-18)17(21)19-11-16(14)12-5-4-6-13(9-12)22-3/h4-9,11H,1-3H3,(H,19,21)
InChIKeyZPYFCDVGCQTFOZ-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.45
Rot. Bonds4

About 4-[2-(dimethylamino)ethenyl]-5-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile

4-[2-(dimethylamino)ethenyl]-5-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 88707351) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethenyl]-5-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethenyl]-5-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID88707351
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name4-[2-(dimethylamino)ethenyl]-5-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1cccc(-c2c[nH]c(=O)c(C#N)c2C=CN(C)C)c1
InChIInChI=1S/C17H17N3O2/c1-20(2)8-7-14-15(10-18)17(21)19-11-16(14)12-5-4-6-13(9-12)22-3/h4-9,11H,1-3H3,(H,19,21)
InChIKeyZPYFCDVGCQTFOZ-UHFFFAOYSA-N
XLogP2.45
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethenyl]-5-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-[2-(dimethylamino)ethenyl]-5-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile (CID 88707351) is 4-[2-(dimethylamino)ethenyl]-5-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-[2-(dimethylamino)ethenyl]-5-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-[2-(dimethylamino)ethenyl]-5-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile is COc1cccc(-c2c[nH]c(=O)c(C#N)c2C=CN(C)C)c1.
What is the InChIKey of 4-[2-(dimethylamino)ethenyl]-5-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is ZPYFCDVGCQTFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-20(2)8-7-14-15(10-18)17(21)19-11-16(14)12-5-4-6-13(9-12)22-3/h4-9,11H,1-3H3,(H,19,21).
What are the key properties of 4-[2-(dimethylamino)ethenyl]-5-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
4-[2-(dimethylamino)ethenyl]-5-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 295.34 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethenyl]-5-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 88707351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).