2-[2-(4-methoxyphenyl)-2-oxoethoxy]-4,6-dimethylpyridine-3-carbonitrile

C17H16N2O3 — CID 950785

IUPAC2-[2-(4-methoxyphenyl)-2-oxoethoxy]-4,6-dimethylpyridine-3-carbonitrile
SMILESCOc1ccc(C(=O)COc2nc(C)cc(C)c2C#N)cc1
InChIInChI=1S/C17H16N2O3/c1-11-8-12(2)19-17(15(11)9-18)22-10-16(20)13-4-6-14(21-3)7-5-13/h4-8H,10H2,1-3H3
InChIKeyPPKYGKYUTYQZFW-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.84
Rot. Bonds5

About 2-[2-(4-methoxyphenyl)-2-oxoethoxy]-4,6-dimethylpyridine-3-carbonitrile

2-[2-(4-methoxyphenyl)-2-oxoethoxy]-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 950785) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-2-oxoethoxy]-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-2-oxoethoxy]-4,6-dimethylpyridine-3-carbonitrile
PubChem CID950785
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name2-[2-(4-methoxyphenyl)-2-oxoethoxy]-4,6-dimethylpyridine-3-carbonitrile
SMILESCOc1ccc(C(=O)COc2nc(C)cc(C)c2C#N)cc1
InChIInChI=1S/C17H16N2O3/c1-11-8-12(2)19-17(15(11)9-18)22-10-16(20)13-4-6-14(21-3)7-5-13/h4-8H,10H2,1-3H3
InChIKeyPPKYGKYUTYQZFW-UHFFFAOYSA-N
XLogP2.84
TPSA72.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-2-oxoethoxy]-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-[2-(4-methoxyphenyl)-2-oxoethoxy]-4,6-dimethylpyridine-3-carbonitrile (CID 950785) is 2-[2-(4-methoxyphenyl)-2-oxoethoxy]-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-2-oxoethoxy]-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-2-oxoethoxy]-4,6-dimethylpyridine-3-carbonitrile is COc1ccc(C(=O)COc2nc(C)cc(C)c2C#N)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-2-oxoethoxy]-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is PPKYGKYUTYQZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-11-8-12(2)19-17(15(11)9-18)22-10-16(20)13-4-6-14(21-3)7-5-13/h4-8H,10H2,1-3H3.
What are the key properties of 2-[2-(4-methoxyphenyl)-2-oxoethoxy]-4,6-dimethylpyridine-3-carbonitrile?
2-[2-(4-methoxyphenyl)-2-oxoethoxy]-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 296.33 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)-2-oxoethoxy]-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 950785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).