1-ethyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbaldehyde

C18H21NO3 — CID 82517740

IUPAC1-ethyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbaldehyde
SMILESCCn1c(-c2ccc(OCC(C)C)cc2)ccc(C=O)c1=O
InChIInChI=1S/C18H21NO3/c1-4-19-17(10-7-15(11-20)18(19)21)14-5-8-16(9-6-14)22-12-13(2)3/h5-11,13H,4,12H2,1-3H3
InChIKeyPCNHNLKKAQEPMU-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.38
Rot. Bonds6

About 1-ethyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbaldehyde

1-ethyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbaldehyde (PubChem CID 82517740) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-ethyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbaldehyde.

Molecular Properties

Compound Name1-ethyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbaldehyde
PubChem CID82517740
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name1-ethyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbaldehyde
SMILESCCn1c(-c2ccc(OCC(C)C)cc2)ccc(C=O)c1=O
InChIInChI=1S/C18H21NO3/c1-4-19-17(10-7-15(11-20)18(19)21)14-5-8-16(9-6-14)22-12-13(2)3/h5-11,13H,4,12H2,1-3H3
InChIKeyPCNHNLKKAQEPMU-UHFFFAOYSA-N
XLogP3.38
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde
CID 82517921
6-(4-chlorophenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbaldehyde
CID 82519233
3-(aminomethyl)-1-methyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-one
CID 82189512
1-methyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbonitrile
CID 82517751
2-chloro-4-(2-methylpropoxy)benzaldehyde
CID 52982918
ethane;4-(2-methylpropoxy)benzaldehyde
CID 143325995
1-butyl-6-(4-chlorophenyl)-2-oxopyridine-3-carbaldehyde
CID 82519268
2-[4-(1-ethyl-5-methyl-6-oxo-2-pyridinyl)phenoxy]acetonitrile
CID 158452584
2-[6-(4-ethoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetic acid
CID 82517930
3-bromo-1-ethyl-6-[4-(methoxymethoxy)phenyl]pyridin-2-one
CID 161125403
1-ethyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carboxylic acid
CID 82517790
3-amino-6-(4-ethoxyphenyl)-1-(2-methylpropyl)pyridin-2-one
CID 82467100

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbaldehyde?
The IUPAC name of 1-ethyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbaldehyde (CID 82517740) is 1-ethyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbaldehyde.
What is the SMILES notation for 1-ethyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbaldehyde?
The canonical SMILES for 1-ethyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbaldehyde is CCn1c(-c2ccc(OCC(C)C)cc2)ccc(C=O)c1=O.
What is the InChIKey of 1-ethyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbaldehyde?
The InChIKey is PCNHNLKKAQEPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-4-19-17(10-7-15(11-20)18(19)21)14-5-8-16(9-6-14)22-12-13(2)3/h5-11,13H,4,12H2,1-3H3.
What are the key properties of 1-ethyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbaldehyde?
1-ethyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbaldehyde has a molecular weight of 299.37 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbaldehyde is sourced from PubChem (CID 82517740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).