2-oxo-1-propan-2-yl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carbaldehyde

C19H21NO2 — CID 82519718

IUPAC2-oxo-1-propan-2-yl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carbaldehyde
SMILESCC(C)n1c(-c2ccc3c(c2)CCCC3)ccc(C=O)c1=O
InChIInChI=1S/C19H21NO2/c1-13(2)20-18(10-9-17(12-21)19(20)22)16-8-7-14-5-3-4-6-15(14)11-16/h7-13H,3-6H2,1-2H3
InChIKeyKTAMDRMSQMAWTD-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.79
Rot. Bonds3

About 2-oxo-1-propan-2-yl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carbaldehyde

2-oxo-1-propan-2-yl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carbaldehyde (PubChem CID 82519718) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-oxo-1-propan-2-yl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-oxo-1-propan-2-yl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carbaldehyde
PubChem CID82519718
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name2-oxo-1-propan-2-yl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carbaldehyde
SMILESCC(C)n1c(-c2ccc3c(c2)CCCC3)ccc(C=O)c1=O
InChIInChI=1S/C19H21NO2/c1-13(2)20-18(10-9-17(12-21)19(20)22)16-8-7-14-5-3-4-6-15(14)11-16/h7-13H,3-6H2,1-2H3
InChIKeyKTAMDRMSQMAWTD-UHFFFAOYSA-N
XLogP3.79
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(hydroxymethyl)-1-propan-2-yl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-2-one
CID 82519719
6-(3,4-dichlorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde
CID 82519120
6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde
CID 82517921
3-amino-1-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-2-one
CID 82466908
1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrole-2-carboxylic acid
CID 82088702
3-amino-1-cyclopentyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-2-one
CID 82466918
4-(2,3-dihydro-1H-inden-5-yl)benzaldehyde
CID 54910359
1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole
CID 116869099
1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazole
CID 91528973
1-methyl-6-(4-methylphenyl)-2-oxopyridine-3-carbaldehyde
CID 82520943
4-amino-2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-one
CID 82467444
3-propan-2-yl-6-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]-1H-pyrimidine-2,4-dione
CID 163377856

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-propan-2-yl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carbaldehyde?
The IUPAC name of 2-oxo-1-propan-2-yl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carbaldehyde (CID 82519718) is 2-oxo-1-propan-2-yl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-oxo-1-propan-2-yl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-oxo-1-propan-2-yl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carbaldehyde is CC(C)n1c(-c2ccc3c(c2)CCCC3)ccc(C=O)c1=O.
What is the InChIKey of 2-oxo-1-propan-2-yl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carbaldehyde?
The InChIKey is KTAMDRMSQMAWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-13(2)20-18(10-9-17(12-21)19(20)22)16-8-7-14-5-3-4-6-15(14)11-16/h7-13H,3-6H2,1-2H3.
What are the key properties of 2-oxo-1-propan-2-yl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carbaldehyde?
2-oxo-1-propan-2-yl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carbaldehyde has a molecular weight of 295.38 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-propan-2-yl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carbaldehyde is sourced from PubChem (CID 82519718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).