4-(2-ethoxyphenyl)-6-ethylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile

C16H18N2O2S — CID 2997753

IUPAC4-(2-ethoxyphenyl)-6-ethylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
SMILESCCOc1ccccc1C1CC(=O)NC(SCC)=C1C#N
InChIInChI=1S/C16H18N2O2S/c1-3-20-14-8-6-5-7-11(14)12-9-15(19)18-16(21-4-2)13(12)10-17/h5-8,12H,3-4,9H2,1-2H3,(H,18,19)
InChIKeyMHYAIHGXMYWNMH-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.18
Rot. Bonds5

About 4-(2-ethoxyphenyl)-6-ethylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile

4-(2-ethoxyphenyl)-6-ethylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile (PubChem CID 2997753) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-(2-ethoxyphenyl)-6-ethylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(2-ethoxyphenyl)-6-ethylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
PubChem CID2997753
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name4-(2-ethoxyphenyl)-6-ethylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
SMILESCCOc1ccccc1C1CC(=O)NC(SCC)=C1C#N
InChIInChI=1S/C16H18N2O2S/c1-3-20-14-8-6-5-7-11(14)12-9-15(19)18-16(21-4-2)13(12)10-17/h5-8,12H,3-4,9H2,1-2H3,(H,18,19)
InChIKeyMHYAIHGXMYWNMH-UHFFFAOYSA-N
XLogP3.18
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenyl)-6-ethylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
The IUPAC name of 4-(2-ethoxyphenyl)-6-ethylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile (CID 2997753) is 4-(2-ethoxyphenyl)-6-ethylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.
What is the SMILES notation for 4-(2-ethoxyphenyl)-6-ethylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
The canonical SMILES for 4-(2-ethoxyphenyl)-6-ethylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile is CCOc1ccccc1C1CC(=O)NC(SCC)=C1C#N.
What is the InChIKey of 4-(2-ethoxyphenyl)-6-ethylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
The InChIKey is MHYAIHGXMYWNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-3-20-14-8-6-5-7-11(14)12-9-15(19)18-16(21-4-2)13(12)10-17/h5-8,12H,3-4,9H2,1-2H3,(H,18,19).
What are the key properties of 4-(2-ethoxyphenyl)-6-ethylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
4-(2-ethoxyphenyl)-6-ethylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile has a molecular weight of 302.40 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenyl)-6-ethylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile is sourced from PubChem (CID 2997753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).