6-(4-methoxyphenyl)-2-oxo-4-pyridin-3-yl-1H-pyridine-3-carbonitrile

C18H13N3O2 — CID 724369

IUPAC6-(4-methoxyphenyl)-2-oxo-4-pyridin-3-yl-1H-pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3cccnc3)c(C#N)c(=O)[nH]2)cc1
InChIInChI=1S/C18H13N3O2/c1-23-14-6-4-12(5-7-14)17-9-15(13-3-2-8-20-11-13)16(10-19)18(22)21-17/h2-9,11H,1H3,(H,21,22)
InChIKeyGLTVLDQXFSQDEN-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.98
Rot. Bonds3

About 6-(4-methoxyphenyl)-2-oxo-4-pyridin-3-yl-1H-pyridine-3-carbonitrile

6-(4-methoxyphenyl)-2-oxo-4-pyridin-3-yl-1H-pyridine-3-carbonitrile (PubChem CID 724369) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-2-oxo-4-pyridin-3-yl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-2-oxo-4-pyridin-3-yl-1H-pyridine-3-carbonitrile
PubChem CID724369
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC Name6-(4-methoxyphenyl)-2-oxo-4-pyridin-3-yl-1H-pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3cccnc3)c(C#N)c(=O)[nH]2)cc1
InChIInChI=1S/C18H13N3O2/c1-23-14-6-4-12(5-7-14)17-9-15(13-3-2-8-20-11-13)16(10-19)18(22)21-17/h2-9,11H,1H3,(H,21,22)
InChIKeyGLTVLDQXFSQDEN-UHFFFAOYSA-N
XLogP2.98
TPSA78.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-2-oxo-4-pyridin-3-yl-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-(4-methoxyphenyl)-2-oxo-4-pyridin-3-yl-1H-pyridine-3-carbonitrile (CID 724369) is 6-(4-methoxyphenyl)-2-oxo-4-pyridin-3-yl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-methoxyphenyl)-2-oxo-4-pyridin-3-yl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-methoxyphenyl)-2-oxo-4-pyridin-3-yl-1H-pyridine-3-carbonitrile is COc1ccc(-c2cc(-c3cccnc3)c(C#N)c(=O)[nH]2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-2-oxo-4-pyridin-3-yl-1H-pyridine-3-carbonitrile?
The InChIKey is GLTVLDQXFSQDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c1-23-14-6-4-12(5-7-14)17-9-15(13-3-2-8-20-11-13)16(10-19)18(22)21-17/h2-9,11H,1H3,(H,21,22).
What are the key properties of 6-(4-methoxyphenyl)-2-oxo-4-pyridin-3-yl-1H-pyridine-3-carbonitrile?
6-(4-methoxyphenyl)-2-oxo-4-pyridin-3-yl-1H-pyridine-3-carbonitrile has a molecular weight of 303.32 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-2-oxo-4-pyridin-3-yl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 724369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).