2-(2-aminoethoxy)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone

C12H17N3O2 — CID 79472972

IUPAC2-(2-aminoethoxy)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
SMILESNCCOCC(=O)N1CCc2ncccc2C1
InChIInChI=1S/C12H17N3O2/c13-4-7-17-9-12(16)15-6-3-11-10(8-15)2-1-5-14-11/h1-2,5H,3-4,6-9,13H2
InChIKeyOMFQMYWNNJGRPU-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.06
Rot. Bonds4

About 2-(2-aminoethoxy)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone

2-(2-aminoethoxy)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone (PubChem CID 79472972) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone.

Molecular Properties

Compound Name2-(2-aminoethoxy)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
PubChem CID79472972
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-(2-aminoethoxy)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
SMILESNCCOCC(=O)N1CCc2ncccc2C1
InChIInChI=1S/C12H17N3O2/c13-4-7-17-9-12(16)15-6-3-11-10(8-15)2-1-5-14-11/h1-2,5H,3-4,6-9,13H2
InChIKeyOMFQMYWNNJGRPU-UHFFFAOYSA-N
XLogP-0.06
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-aminoethoxy)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methoxyethanone
CID 64592092
7-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)heptan-1-one
CID 60862584
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
CID 64591824
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-piperidin-4-yloxyethanone
CID 63877593
2-(1-aminocyclohexyl)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 64683261
3-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methylpropan-1-one
CID 62670516
2-(2-amino-1,3-thiazol-4-yl)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 62799079
[4-(aminomethyl)phenyl]-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 60861567
2-(tert-butylamino)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 79257456
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-4-(methylamino)butan-1-one
CID 60862591
2-(2-aminoethoxy)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 79473756
3-chloro-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,2-dimethylpropan-1-one
CID 63680928

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone?
The IUPAC name of 2-(2-aminoethoxy)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone (CID 79472972) is 2-(2-aminoethoxy)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone.
What is the SMILES notation for 2-(2-aminoethoxy)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone?
The canonical SMILES for 2-(2-aminoethoxy)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone is NCCOCC(=O)N1CCc2ncccc2C1.
What is the InChIKey of 2-(2-aminoethoxy)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone?
The InChIKey is OMFQMYWNNJGRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-4-7-17-9-12(16)15-6-3-11-10(8-15)2-1-5-14-11/h1-2,5H,3-4,6-9,13H2.
What are the key properties of 2-(2-aminoethoxy)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone?
2-(2-aminoethoxy)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone has a molecular weight of 235.29 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone is sourced from PubChem (CID 79472972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).