2-[4-(1-ethyl-5-methyl-6-oxo-2-pyridinyl)phenoxy]acetonitrile

C16H16N2O2 — CID 158452584

IUPAC2-[4-(1-ethyl-5-methyl-6-oxo-2-pyridinyl)phenoxy]acetonitrile
SMILESCCn1c(-c2ccc(OCC#N)cc2)ccc(C)c1=O
InChIInChI=1S/C16H16N2O2/c1-3-18-15(9-4-12(2)16(18)19)13-5-7-14(8-6-13)20-11-10-17/h4-9H,3,11H2,1-2H3
InChIKeyCCPUZTQAYAQPFE-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.75
Rot. Bonds4

About 2-[4-(1-ethyl-5-methyl-6-oxo-2-pyridinyl)phenoxy]acetonitrile

2-[4-(1-ethyl-5-methyl-6-oxo-2-pyridinyl)phenoxy]acetonitrile (PubChem CID 158452584) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[4-(1-ethyl-5-methyl-6-oxo-2-pyridinyl)phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[4-(1-ethyl-5-methyl-6-oxo-2-pyridinyl)phenoxy]acetonitrile
PubChem CID158452584
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-[4-(1-ethyl-5-methyl-6-oxo-2-pyridinyl)phenoxy]acetonitrile
SMILESCCn1c(-c2ccc(OCC#N)cc2)ccc(C)c1=O
InChIInChI=1S/C16H16N2O2/c1-3-18-15(9-4-12(2)16(18)19)13-5-7-14(8-6-13)20-11-10-17/h4-9H,3,11H2,1-2H3
InChIKeyCCPUZTQAYAQPFE-UHFFFAOYSA-N
XLogP2.75
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5-chloro-1-ethyl-6-oxo-2-pyridinyl)-3-methylphenoxy]acetonitrile
CID 159886636
2-[4-(1-ethyl-5-iodo-6-oxo-2-pyridinyl)-3,5-difluorophenoxy]acetonitrile
CID 159149420
3-(aminomethyl)-6-(4-ethoxyphenyl)-1-ethyl-4-methylpyridin-2-one
CID 82189704
6-(4-ethoxyphenyl)-1,3-dimethylpyridin-2-one
CID 149000384
6-(2,6-difluoro-4-prop-2-ynoxyphenyl)-1-ethyl-3-methylpyridin-2-one
CID 153055474
3-bromo-1-ethyl-6-[4-(methoxymethoxy)phenyl]pyridin-2-one
CID 161125403
2-[6-(4-ethoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetic acid
CID 82517930
1-ethyl-6-(4-methoxy-3-methylphenyl)-2-oxopyridine-3-carbonitrile
CID 82517340
1-ethyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carboxylic acid
CID 82517790
6-(4-but-2-ynoxyphenyl)-1-ethylpyridin-2-one
CID 162158353
2-[4-(5-bromo-1-methyl-6-oxo-2-pyridinyl)-3-methylphenoxy]acetonitrile
CID 160578621
1-ethyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbaldehyde
CID 82517740

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-ethyl-5-methyl-6-oxo-2-pyridinyl)phenoxy]acetonitrile?
The IUPAC name of 2-[4-(1-ethyl-5-methyl-6-oxo-2-pyridinyl)phenoxy]acetonitrile (CID 158452584) is 2-[4-(1-ethyl-5-methyl-6-oxo-2-pyridinyl)phenoxy]acetonitrile.
What is the SMILES notation for 2-[4-(1-ethyl-5-methyl-6-oxo-2-pyridinyl)phenoxy]acetonitrile?
The canonical SMILES for 2-[4-(1-ethyl-5-methyl-6-oxo-2-pyridinyl)phenoxy]acetonitrile is CCn1c(-c2ccc(OCC#N)cc2)ccc(C)c1=O.
What is the InChIKey of 2-[4-(1-ethyl-5-methyl-6-oxo-2-pyridinyl)phenoxy]acetonitrile?
The InChIKey is CCPUZTQAYAQPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-3-18-15(9-4-12(2)16(18)19)13-5-7-14(8-6-13)20-11-10-17/h4-9H,3,11H2,1-2H3.
What are the key properties of 2-[4-(1-ethyl-5-methyl-6-oxo-2-pyridinyl)phenoxy]acetonitrile?
2-[4-(1-ethyl-5-methyl-6-oxo-2-pyridinyl)phenoxy]acetonitrile has a molecular weight of 268.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-ethyl-5-methyl-6-oxo-2-pyridinyl)phenoxy]acetonitrile is sourced from PubChem (CID 158452584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).