6-tert-butyl-1-(3-methoxypropyl)-2-oxopyridine-3-carbaldehyde

C14H21NO3 — CID 82523464

IUPAC6-tert-butyl-1-(3-methoxypropyl)-2-oxopyridine-3-carbaldehyde
SMILESCOCCCn1c(C(C)(C)C)ccc(C=O)c1=O
InChIInChI=1S/C14H21NO3/c1-14(2,3)12-7-6-11(10-16)13(17)15(12)8-5-9-18-4/h6-7,10H,5,8-9H2,1-4H3
InChIKeyHUZXBLPMXDZJKY-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.99
Rot. Bonds5

About 6-tert-butyl-1-(3-methoxypropyl)-2-oxopyridine-3-carbaldehyde

6-tert-butyl-1-(3-methoxypropyl)-2-oxopyridine-3-carbaldehyde (PubChem CID 82523464) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 6-tert-butyl-1-(3-methoxypropyl)-2-oxopyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-tert-butyl-1-(3-methoxypropyl)-2-oxopyridine-3-carbaldehyde
PubChem CID82523464
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name6-tert-butyl-1-(3-methoxypropyl)-2-oxopyridine-3-carbaldehyde
SMILESCOCCCn1c(C(C)(C)C)ccc(C=O)c1=O
InChIInChI=1S/C14H21NO3/c1-14(2,3)12-7-6-11(10-16)13(17)15(12)8-5-9-18-4/h6-7,10H,5,8-9H2,1-4H3
InChIKeyHUZXBLPMXDZJKY-UHFFFAOYSA-N
XLogP1.99
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(aminomethyl)-6-tert-butyl-1-(3-methoxypropyl)pyridin-2-one
CID 82189045
6-tert-butyl-3-[(2-methoxyethylamino)methyl]-1-(3-methoxypropyl)pyridin-2-one
CID 82523455
6-tert-butyl-1-(3-methoxypropyl)-3-(propylaminomethyl)pyridin-2-one
CID 82523460
6-tert-butyl-1-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82523492
3-(bromomethyl)-1-butyl-6-tert-butylpyridin-2-one
CID 82523700
3-(2-aminopropan-2-yl)-1-(3-methoxypropyl)-6-propan-2-ylpyridin-2-one
CID 82524040
6-tert-butyl-2-oxo-1-pentylpyridine-3-carboxylic acid
CID 82523612
1-(3-methoxypropyl)-2-methylindole-3-carbaldehyde
CID 59177546
3-(2-hydroxypropan-2-yl)-1-(3-methoxypropyl)-4,6-dimethylpyridin-2-one
CID 82525632
6-(4-chlorophenyl)-2-(2-methoxyethyl)-3-oxopyridazine-4-carbaldehyde
CID 82447606
5-iodo-3-(4-methoxybutyl)-2-methylpyrimidin-4-one
CID 104648896
3-(3-methoxypropyl)imidazole-4-carbaldehyde
CID 66146994

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-(3-methoxypropyl)-2-oxopyridine-3-carbaldehyde?
The IUPAC name of 6-tert-butyl-1-(3-methoxypropyl)-2-oxopyridine-3-carbaldehyde (CID 82523464) is 6-tert-butyl-1-(3-methoxypropyl)-2-oxopyridine-3-carbaldehyde.
What is the SMILES notation for 6-tert-butyl-1-(3-methoxypropyl)-2-oxopyridine-3-carbaldehyde?
The canonical SMILES for 6-tert-butyl-1-(3-methoxypropyl)-2-oxopyridine-3-carbaldehyde is COCCCn1c(C(C)(C)C)ccc(C=O)c1=O.
What is the InChIKey of 6-tert-butyl-1-(3-methoxypropyl)-2-oxopyridine-3-carbaldehyde?
The InChIKey is HUZXBLPMXDZJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-14(2,3)12-7-6-11(10-16)13(17)15(12)8-5-9-18-4/h6-7,10H,5,8-9H2,1-4H3.
What are the key properties of 6-tert-butyl-1-(3-methoxypropyl)-2-oxopyridine-3-carbaldehyde?
6-tert-butyl-1-(3-methoxypropyl)-2-oxopyridine-3-carbaldehyde has a molecular weight of 251.33 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-(3-methoxypropyl)-2-oxopyridine-3-carbaldehyde is sourced from PubChem (CID 82523464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).