3-(aminomethyl)-6-methyl-1-(oxolan-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

C15H23N3O2 — CID 82521728

IUPAC3-(aminomethyl)-6-methyl-1-(oxolan-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCN1CCc2c(cc(CN)c(=O)n2CC2CCCO2)C1
InChIInChI=1S/C15H23N3O2/c1-17-5-4-14-12(9-17)7-11(8-16)15(19)18(14)10-13-3-2-6-20-13/h7,13H,2-6,8-10,16H2,1H3
InChIKeyCXAUXWWTMPEGBQ-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.47
Rot. Bonds3

About 3-(aminomethyl)-6-methyl-1-(oxolan-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

3-(aminomethyl)-6-methyl-1-(oxolan-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 82521728) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-(aminomethyl)-6-methyl-1-(oxolan-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-6-methyl-1-(oxolan-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID82521728
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-(aminomethyl)-6-methyl-1-(oxolan-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCN1CCc2c(cc(CN)c(=O)n2CC2CCCO2)C1
InChIInChI=1S/C15H23N3O2/c1-17-5-4-14-12(9-17)7-11(8-16)15(19)18(14)10-13-3-2-6-20-13/h7,13H,2-6,8-10,16H2,1H3
InChIKeyCXAUXWWTMPEGBQ-UHFFFAOYSA-N
XLogP0.47
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(aminomethyl)-6-methyl-1-(oxolan-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one with MolForge

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Related Compounds

6-methyl-2-oxo-1-(oxolan-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbaldehyde
CID 82521737
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
3-(aminomethyl)-1-(2,4-dimethylphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82189174
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
3-(aminomethyl)-6-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one
CID 107073173
3-amino-4,6-dimethyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 82466705
ethane;1-methyl-4-(oxolan-2-ylmethyl)piperazine;4-methylpiperazin-2-one
CID 171516221
4-hydroxy-3-iodo-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 112757079

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-methyl-1-(oxolan-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 3-(aminomethyl)-6-methyl-1-(oxolan-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 82521728) is 3-(aminomethyl)-6-methyl-1-(oxolan-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-6-methyl-1-(oxolan-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-6-methyl-1-(oxolan-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is CN1CCc2c(cc(CN)c(=O)n2CC2CCCO2)C1.
What is the InChIKey of 3-(aminomethyl)-6-methyl-1-(oxolan-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is CXAUXWWTMPEGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-17-5-4-14-12(9-17)7-11(8-16)15(19)18(14)10-13-3-2-6-20-13/h7,13H,2-6,8-10,16H2,1H3.
What are the key properties of 3-(aminomethyl)-6-methyl-1-(oxolan-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
3-(aminomethyl)-6-methyl-1-(oxolan-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 277.37 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-methyl-1-(oxolan-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 82521728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).