6-ethyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile

C13H11N3O — CID 12873360

IUPAC6-ethyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile
SMILESCCc1[nH]c(=O)c(C#N)cc1-c1ccncc1
InChIInChI=1S/C13H11N3O/c1-2-12-11(9-3-5-15-6-4-9)7-10(8-14)13(17)16-12/h3-7H,2H2,1H3,(H,16,17)
InChIKeyRWYYNPUQZIPKQN-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.87
Rot. Bonds2

About 6-ethyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile

6-ethyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile (PubChem CID 12873360) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 6-ethyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-ethyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile
PubChem CID12873360
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name6-ethyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile
SMILESCCc1[nH]c(=O)c(C#N)cc1-c1ccncc1
InChIInChI=1S/C13H11N3O/c1-2-12-11(9-3-5-15-6-4-9)7-10(8-14)13(17)16-12/h3-7H,2H2,1H3,(H,16,17)
InChIKeyRWYYNPUQZIPKQN-UHFFFAOYSA-N
XLogP1.87
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-ethyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile (CID 12873360) is 6-ethyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-ethyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-ethyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile is CCc1[nH]c(=O)c(C#N)cc1-c1ccncc1.
What is the InChIKey of 6-ethyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile?
The InChIKey is RWYYNPUQZIPKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-2-12-11(9-3-5-15-6-4-9)7-10(8-14)13(17)16-12/h3-7H,2H2,1H3,(H,16,17).
What are the key properties of 6-ethyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile?
6-ethyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile has a molecular weight of 225.25 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 12873360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).