6-methyl-2-oxo-1-(oxolan-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbaldehyde

C15H20N2O3 — CID 82521737

IUPAC6-methyl-2-oxo-1-(oxolan-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbaldehyde
SMILESCN1CCc2c(cc(C=O)c(=O)n2CC2CCCO2)C1
InChIInChI=1S/C15H20N2O3/c1-16-5-4-14-11(8-16)7-12(10-18)15(19)17(14)9-13-3-2-6-20-13/h7,10,13H,2-6,8-9H2,1H3
InChIKeyZBERMESIRNRYEA-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.83
Rot. Bonds3

About 6-methyl-2-oxo-1-(oxolan-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbaldehyde

6-methyl-2-oxo-1-(oxolan-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbaldehyde (PubChem CID 82521737) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-methyl-2-oxo-1-(oxolan-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-methyl-2-oxo-1-(oxolan-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbaldehyde
PubChem CID82521737
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name6-methyl-2-oxo-1-(oxolan-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbaldehyde
SMILESCN1CCc2c(cc(C=O)c(=O)n2CC2CCCO2)C1
InChIInChI=1S/C15H20N2O3/c1-16-5-4-14-11(8-16)7-12(10-18)15(19)17(14)9-13-3-2-6-20-13/h7,10,13H,2-6,8-9H2,1H3
InChIKeyZBERMESIRNRYEA-UHFFFAOYSA-N
XLogP0.83
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-methyl-2-oxo-1-(oxolan-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbaldehyde with MolForge

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Related Compounds

3-(aminomethyl)-6-methyl-1-(oxolan-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521728
3-acetyl-1-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522716
2-oxo-1-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbohydrazide
CID 82522709
1-(oxolan-2-ylmethyl)-3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydroquinolin-2-one
CID 82522169
2-[2-oxo-1-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-3-yl]acetonitrile
CID 82522163
2-[2-oxo-1-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-3-yl]acetyl chloride
CID 82522152
3-[(cyclopropylamino)methyl]-1-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522730
ethane;1-methyl-4-(oxolan-2-ylmethyl)piperazine;4-methylpiperazin-2-one
CID 171516221
6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid
CID 82522043
1-butyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbaldehyde
CID 89153702
3-amino-4,6-dimethyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 82466705
1-[[(2S)-oxan-2-yl]methyl]-2-oxopyridine-3-carbaldehyde
CID 129494640

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-1-(oxolan-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbaldehyde?
The IUPAC name of 6-methyl-2-oxo-1-(oxolan-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbaldehyde (CID 82521737) is 6-methyl-2-oxo-1-(oxolan-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbaldehyde.
What is the SMILES notation for 6-methyl-2-oxo-1-(oxolan-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbaldehyde?
The canonical SMILES for 6-methyl-2-oxo-1-(oxolan-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbaldehyde is CN1CCc2c(cc(C=O)c(=O)n2CC2CCCO2)C1.
What is the InChIKey of 6-methyl-2-oxo-1-(oxolan-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbaldehyde?
The InChIKey is ZBERMESIRNRYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-16-5-4-14-11(8-16)7-12(10-18)15(19)17(14)9-13-3-2-6-20-13/h7,10,13H,2-6,8-9H2,1H3.
What are the key properties of 6-methyl-2-oxo-1-(oxolan-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbaldehyde?
6-methyl-2-oxo-1-(oxolan-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbaldehyde has a molecular weight of 276.34 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-1-(oxolan-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbaldehyde is sourced from PubChem (CID 82521737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).