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

C17H18N2O3 — CID 82124655

IUPAC1-[2-(4-methoxyphenoxy)ethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCOc1ccc(OCCn2c(C)cc(C)c(C#N)c2=O)cc1
InChIInChI=1S/C17H18N2O3/c1-12-10-13(2)19(17(20)16(12)11-18)8-9-22-15-6-4-14(21-3)5-7-15/h4-7,10H,8-9H2,1-3H3
InChIKeyINIDZENAPIWSEF-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.42
Rot. Bonds5

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

1-[2-(4-methoxyphenoxy)ethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 82124655) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID82124655
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCOc1ccc(OCCn2c(C)cc(C)c(C#N)c2=O)cc1
InChIInChI=1S/C17H18N2O3/c1-12-10-13(2)19(17(20)16(12)11-18)8-9-22-15-6-4-14(21-3)5-7-15/h4-7,10H,8-9H2,1-3H3
InChIKeyINIDZENAPIWSEF-UHFFFAOYSA-N
XLogP2.42
TPSA64.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 82099479
1-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]ethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 139051000
1-[4-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]butyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 172640949
1-[2-(4-chlorophenoxy)ethyl]-3,5-dimethylpyrrole-2-carbonitrile
CID 84616542
4,6-dimethyl-2-oxo-1-(3-oxobutyl)pyridine-3-carbonitrile
CID 84614931
1-(3-hydroxypropyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 3148839
3-acetyl-1-[2-(4-methoxyphenoxy)ethyl]-6-methylpyridin-2-one
CID 82064779
3-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)propanamide
CID 84614937
1-[2-(4-bromophenoxy)ethyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 107072852
4-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)butanoic acid
CID 84616792
1-ethyl-3-[3-(4-methoxyphenoxy)propyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 39020632
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]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile (CID 82124655) is 1-[2-(4-methoxyphenoxy)ethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile is COc1ccc(OCCn2c(C)cc(C)c(C#N)c2=O)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is INIDZENAPIWSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12-10-13(2)19(17(20)16(12)11-18)8-9-22-15-6-4-14(21-3)5-7-15/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
1-[2-(4-methoxyphenoxy)ethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 298.34 g/mol, XLogP of 2.42, 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]-4,6-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 82124655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).