6-ethyl-3-[(2-methoxyethylamino)methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one

C15H25N3O2 — CID 82521675

IUPAC6-ethyl-3-[(2-methoxyethylamino)methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCCN1CCc2c(cc(CNCCOC)c(=O)n2C)C1
InChIInChI=1S/C15H25N3O2/c1-4-18-7-5-14-13(11-18)9-12(15(19)17(14)2)10-16-6-8-20-3/h9,16H,4-8,10-11H2,1-3H3
InChIKeyVBNMQUYVTFAPJL-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.50
Rot. Bonds6

About 6-ethyl-3-[(2-methoxyethylamino)methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one

6-ethyl-3-[(2-methoxyethylamino)methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 82521675) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 6-ethyl-3-[(2-methoxyethylamino)methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name6-ethyl-3-[(2-methoxyethylamino)methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID82521675
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name6-ethyl-3-[(2-methoxyethylamino)methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCCN1CCc2c(cc(CNCCOC)c(=O)n2C)C1
InChIInChI=1S/C15H25N3O2/c1-4-18-7-5-14-13(11-18)9-12(15(19)17(14)2)10-16-6-8-20-3/h9,16H,4-8,10-11H2,1-3H3
InChIKeyVBNMQUYVTFAPJL-UHFFFAOYSA-N
XLogP0.50
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-ethyl-3-[(2-methoxyethylamino)methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one with MolForge

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Related Compounds

6-ethyl-3-(ethylaminomethyl)-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521683
6-ethyl-1-methyl-3-(sulfanylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521667
3-[(cyclopropylamino)methyl]-6-ethyl-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521680
3-(ethylaminomethyl)-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82522108
6-ethyl-1-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbaldehyde
CID 82521685
6-ethyl-1-(2-methoxyethyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbohydrazide
CID 82521395
1-methyl-3-(propylaminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523355
3-(chloromethyl)-6-ethyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521582
6-(3,4-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-1-methylpyridin-2-one
CID 82520140
1-ethyl-6-methyl-3-(methylaminomethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82522073
3-[(cyclopropylamino)methyl]-1-(3-methoxypropyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521754
2-butyl-4-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridazin-3-one
CID 82443309

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-[(2-methoxyethylamino)methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 6-ethyl-3-[(2-methoxyethylamino)methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 82521675) is 6-ethyl-3-[(2-methoxyethylamino)methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 6-ethyl-3-[(2-methoxyethylamino)methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 6-ethyl-3-[(2-methoxyethylamino)methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is CCN1CCc2c(cc(CNCCOC)c(=O)n2C)C1.
What is the InChIKey of 6-ethyl-3-[(2-methoxyethylamino)methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is VBNMQUYVTFAPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-18-7-5-14-13(11-18)9-12(15(19)17(14)2)10-16-6-8-20-3/h9,16H,4-8,10-11H2,1-3H3.
What are the key properties of 6-ethyl-3-[(2-methoxyethylamino)methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
6-ethyl-3-[(2-methoxyethylamino)methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 279.38 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-[(2-methoxyethylamino)methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 82521675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).