4,6-dimethyl-2-[2-(4-methylphenyl)-2-oxoethoxy]pyridine-3-carbonitrile

C17H16N2O2 — CID 951167

IUPAC4,6-dimethyl-2-[2-(4-methylphenyl)-2-oxoethoxy]pyridine-3-carbonitrile
SMILESCc1ccc(C(=O)COc2nc(C)cc(C)c2C#N)cc1
InChIInChI=1S/C17H16N2O2/c1-11-4-6-14(7-5-11)16(20)10-21-17-15(9-18)12(2)8-13(3)19-17/h4-8H,10H2,1-3H3
InChIKeyYRIQKWXJLXZRME-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.14
Rot. Bonds4

About 4,6-dimethyl-2-[2-(4-methylphenyl)-2-oxoethoxy]pyridine-3-carbonitrile

4,6-dimethyl-2-[2-(4-methylphenyl)-2-oxoethoxy]pyridine-3-carbonitrile (PubChem CID 951167) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4,6-dimethyl-2-[2-(4-methylphenyl)-2-oxoethoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-[2-(4-methylphenyl)-2-oxoethoxy]pyridine-3-carbonitrile
PubChem CID951167
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name4,6-dimethyl-2-[2-(4-methylphenyl)-2-oxoethoxy]pyridine-3-carbonitrile
SMILESCc1ccc(C(=O)COc2nc(C)cc(C)c2C#N)cc1
InChIInChI=1S/C17H16N2O2/c1-11-4-6-14(7-5-11)16(20)10-21-17-15(9-18)12(2)8-13(3)19-17/h4-8H,10H2,1-3H3
InChIKeyYRIQKWXJLXZRME-UHFFFAOYSA-N
XLogP3.14
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[2-(4-methylphenyl)-2-oxoethoxy]pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-[2-(4-methylphenyl)-2-oxoethoxy]pyridine-3-carbonitrile (CID 951167) is 4,6-dimethyl-2-[2-(4-methylphenyl)-2-oxoethoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-[2-(4-methylphenyl)-2-oxoethoxy]pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-[2-(4-methylphenyl)-2-oxoethoxy]pyridine-3-carbonitrile is Cc1ccc(C(=O)COc2nc(C)cc(C)c2C#N)cc1.
What is the InChIKey of 4,6-dimethyl-2-[2-(4-methylphenyl)-2-oxoethoxy]pyridine-3-carbonitrile?
The InChIKey is YRIQKWXJLXZRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-4-6-14(7-5-11)16(20)10-21-17-15(9-18)12(2)8-13(3)19-17/h4-8H,10H2,1-3H3.
What are the key properties of 4,6-dimethyl-2-[2-(4-methylphenyl)-2-oxoethoxy]pyridine-3-carbonitrile?
4,6-dimethyl-2-[2-(4-methylphenyl)-2-oxoethoxy]pyridine-3-carbonitrile has a molecular weight of 280.33 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[2-(4-methylphenyl)-2-oxoethoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 951167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).