2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetonitrile

C16H16N2O2 — CID 82518561

IUPAC2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetonitrile
SMILESCCn1c(-c2cccc(OC)c2)ccc(CC#N)c1=O
InChIInChI=1S/C16H16N2O2/c1-3-18-15(8-7-12(9-10-17)16(18)19)13-5-4-6-14(11-13)20-2/h4-8,11H,3,9H2,1-2H3
InChIKeyHJLTWWSIMNEMDN-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.61
Rot. Bonds4

About 2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetonitrile

2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetonitrile (PubChem CID 82518561) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetonitrile
PubChem CID82518561
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetonitrile
SMILESCCn1c(-c2cccc(OC)c2)ccc(CC#N)c1=O
InChIInChI=1S/C16H16N2O2/c1-3-18-15(8-7-12(9-10-17)16(18)19)13-5-4-6-14(11-13)20-2/h4-8,11H,3,9H2,1-2H3
InChIKeyHJLTWWSIMNEMDN-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetyl chloride
CID 82518551
2-[6-(3-chloro-4-methoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile
CID 82517166
2-[6-(3,4-dichlorophenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile
CID 82519123
3-acetyl-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one
CID 82518556
3-(1-aminoethyl)-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one
CID 82518553
1-ethyl-3-(hydroxymethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one
CID 82518280
1-ethyl-3-(methylaminomethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one
CID 82518277
3-(aminomethyl)-6-(3-methoxyphenyl)-1-pentylpyridin-2-one
CID 82518457
1-(3-cyanopropyl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82147729
2-[6-(3-methoxyphenyl)-3-oxo-2-propylpyridazin-4-yl]acetonitrile
CID 82446816
1-ethyl-2-oxo-6-(3-propoxyphenyl)pyridine-3-carbonitrile
CID 82518218
1-(2-hydroxyethyl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82147126

Frequently Asked Questions

What is the IUPAC name of 2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetonitrile (CID 82518561) is 2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetonitrile is CCn1c(-c2cccc(OC)c2)ccc(CC#N)c1=O.
What is the InChIKey of 2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetonitrile?
The InChIKey is HJLTWWSIMNEMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-3-18-15(8-7-12(9-10-17)16(18)19)13-5-4-6-14(11-13)20-2/h4-8,11H,3,9H2,1-2H3.
What are the key properties of 2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetonitrile?
2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetonitrile has a molecular weight of 268.32 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetonitrile is sourced from PubChem (CID 82518561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).