1-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-oxopyridine-3-carbonitrile

C16H16N2O3 — CID 82099479

IUPAC1-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-oxopyridine-3-carbonitrile
SMILESCOc1ccc(OCCn2c(C)ccc(C#N)c2=O)cc1
InChIInChI=1S/C16H16N2O3/c1-12-3-4-13(11-17)16(19)18(12)9-10-21-15-7-5-14(20-2)6-8-15/h3-8H,9-10H2,1-2H3
InChIKeyGQCVTKZZWBTHLN-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.12
Rot. Bonds5

About 1-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-oxopyridine-3-carbonitrile

1-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 82099479) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-oxopyridine-3-carbonitrile
PubChem CID82099479
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-oxopyridine-3-carbonitrile
SMILESCOc1ccc(OCCn2c(C)ccc(C#N)c2=O)cc1
InChIInChI=1S/C16H16N2O3/c1-12-3-4-13(11-17)16(19)18(12)9-10-21-15-7-5-14(20-2)6-8-15/h3-8H,9-10H2,1-2H3
InChIKeyGQCVTKZZWBTHLN-UHFFFAOYSA-N
XLogP2.12
TPSA64.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-bromophenoxy)ethyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 107072852
1-[2-(4-methoxyphenoxy)ethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 82124655
3-acetyl-1-[2-(4-methoxyphenoxy)ethyl]-6-methylpyridin-2-one
CID 82064779
6-methyl-1-[2-(2-methylpropoxy)ethyl]-2-oxopyridine-3-carbonitrile
CID 107073006
1-ethyl-3-[3-(4-methoxyphenoxy)propyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 39020632
6-methyl-2-oxo-1-(3-sulfanylpropyl)pyridine-3-carbonitrile
CID 130561478
1-(2-aminoethyl)-6-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82146449
1-[3-(dimethylamino)propyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 82099513
6-methyl-1-(3-methylsulfanylpropyl)-2-oxopyridine-3-carbonitrile
CID 107072997
5-(3-cyano-6-methyl-2-oxo-1-pyridinyl)pentanoic acid
CID 82147473
1-butyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carbonitrile
CID 82517769
1-[2-(4-methoxyphenoxy)ethyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 78805030

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-oxopyridine-3-carbonitrile (CID 82099479) is 1-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-oxopyridine-3-carbonitrile is COc1ccc(OCCn2c(C)ccc(C#N)c2=O)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is GQCVTKZZWBTHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-12-3-4-13(11-17)16(19)18(12)9-10-21-15-7-5-14(20-2)6-8-15/h3-8H,9-10H2,1-2H3.
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-oxopyridine-3-carbonitrile?
1-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 284.32 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 82099479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).