3-[(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)oxy]benzonitrile

C15H14N2O2 — CID 11680414

IUPAC3-[(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)oxy]benzonitrile
SMILESCCc1cc(Oc2cccc(C#N)c2)c(C)[nH]c1=O
InChIInChI=1S/C15H14N2O2/c1-3-12-8-14(10(2)17-15(12)18)19-13-6-4-5-11(7-13)9-16/h4-8H,3H2,1-2H3,(H,17,18)
InChIKeyKDVMFLRIBKJQNL-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.91
Rot. Bonds3

About 3-[(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)oxy]benzonitrile

3-[(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)oxy]benzonitrile (PubChem CID 11680414) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-[(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)oxy]benzonitrile.

Molecular Properties

Compound Name3-[(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)oxy]benzonitrile
PubChem CID11680414
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name3-[(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)oxy]benzonitrile
SMILESCCc1cc(Oc2cccc(C#N)c2)c(C)[nH]c1=O
InChIInChI=1S/C15H14N2O2/c1-3-12-8-14(10(2)17-15(12)18)19-13-6-4-5-11(7-13)9-16/h4-8H,3H2,1-2H3,(H,17,18)
InChIKeyKDVMFLRIBKJQNL-UHFFFAOYSA-N
XLogP2.91
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)oxy]benzonitrile?
The IUPAC name of 3-[(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)oxy]benzonitrile (CID 11680414) is 3-[(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)oxy]benzonitrile.
What is the SMILES notation for 3-[(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)oxy]benzonitrile?
The canonical SMILES for 3-[(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)oxy]benzonitrile is CCc1cc(Oc2cccc(C#N)c2)c(C)[nH]c1=O.
What is the InChIKey of 3-[(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)oxy]benzonitrile?
The InChIKey is KDVMFLRIBKJQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-3-12-8-14(10(2)17-15(12)18)19-13-6-4-5-11(7-13)9-16/h4-8H,3H2,1-2H3,(H,17,18).
What are the key properties of 3-[(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)oxy]benzonitrile?
3-[(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)oxy]benzonitrile has a molecular weight of 254.29 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)oxy]benzonitrile is sourced from PubChem (CID 11680414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).