6-(4-ethoxyphenyl)-1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile

C17H18N2O3 — CID 82099318

IUPAC6-(4-ethoxyphenyl)-1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile
SMILESCCOc1ccc(-c2ccc(C#N)c(=O)n2CCCO)cc1
InChIInChI=1S/C17H18N2O3/c1-2-22-15-7-4-13(5-8-15)16-9-6-14(12-18)17(21)19(16)10-3-11-20/h4-9,20H,2-3,10-11H2,1H3
InChIKeyXOBDHIPJFPNNRU-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.17
Rot. Bonds6

About 6-(4-ethoxyphenyl)-1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile

6-(4-ethoxyphenyl)-1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile (PubChem CID 82099318) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile
PubChem CID82099318
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name6-(4-ethoxyphenyl)-1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile
SMILESCCOc1ccc(-c2ccc(C#N)c(=O)n2CCCO)cc1
InChIInChI=1S/C17H18N2O3/c1-2-22-15-7-4-13(5-8-15)16-9-6-14(12-18)17(21)19(16)10-3-11-20/h4-9,20H,2-3,10-11H2,1H3
InChIKeyXOBDHIPJFPNNRU-UHFFFAOYSA-N
XLogP2.17
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-butyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carbonitrile
CID 82517769
6-(4-chlorophenyl)-1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile
CID 82099168
6-(4-tert-butylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carbonitrile
CID 82099274
1-(2-aminoethyl)-6-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82146449
6-(4-chlorophenyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile
CID 82519215
6-(3-ethoxyphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile
CID 82518322
6-(4-fluorophenyl)-2-oxo-1-propylpyridine-3-carbonitrile
CID 82099180
6-(3,4-dimethylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carbonitrile
CID 82099092
6-(4-ethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carbonitrile
CID 82520500
2-[3-cyano-6-(4-methoxyphenyl)-2-oxo-1-pyridinyl]acetic acid
CID 82099283
1-(2-hydroxyethyl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82147126
1-methyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbonitrile
CID 82517751

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 6-(4-ethoxyphenyl)-1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile (CID 82099318) is 6-(4-ethoxyphenyl)-1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-ethoxyphenyl)-1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 6-(4-ethoxyphenyl)-1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile is CCOc1ccc(-c2ccc(C#N)c(=O)n2CCCO)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is XOBDHIPJFPNNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-2-22-15-7-4-13(5-8-15)16-9-6-14(12-18)17(21)19(16)10-3-11-20/h4-9,20H,2-3,10-11H2,1H3.
What are the key properties of 6-(4-ethoxyphenyl)-1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile?
6-(4-ethoxyphenyl)-1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 298.34 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 82099318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).