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

C13H21N3O — CID 82522073

IUPAC1-ethyl-6-methyl-3-(methylaminomethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCCn1c2c(cc(CNC)c1=O)CN(C)CC2
InChIInChI=1S/C13H21N3O/c1-4-16-12-5-6-15(3)9-11(12)7-10(8-14-2)13(16)17/h7,14H,4-6,8-9H2,1-3H3
InChIKeyVXGPSZKJQZNDCE-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.58
Rot. Bonds3

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

1-ethyl-6-methyl-3-(methylaminomethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 82522073) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-ethyl-6-methyl-3-(methylaminomethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name1-ethyl-6-methyl-3-(methylaminomethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID82522073
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-ethyl-6-methyl-3-(methylaminomethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCCn1c2c(cc(CNC)c1=O)CN(C)CC2
InChIInChI=1S/C13H21N3O/c1-4-16-12-5-6-15(3)9-11(12)7-10(8-14-2)13(16)17/h7,14H,4-6,8-9H2,1-3H3
InChIKeyVXGPSZKJQZNDCE-UHFFFAOYSA-N
XLogP0.58
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methyl-3-(methylaminomethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 1-ethyl-6-methyl-3-(methylaminomethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 82522073) is 1-ethyl-6-methyl-3-(methylaminomethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 1-ethyl-6-methyl-3-(methylaminomethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 1-ethyl-6-methyl-3-(methylaminomethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is CCn1c2c(cc(CNC)c1=O)CN(C)CC2.
What is the InChIKey of 1-ethyl-6-methyl-3-(methylaminomethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is VXGPSZKJQZNDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-16-12-5-6-15(3)9-11(12)7-10(8-14-2)13(16)17/h7,14H,4-6,8-9H2,1-3H3.
What are the key properties of 1-ethyl-6-methyl-3-(methylaminomethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
1-ethyl-6-methyl-3-(methylaminomethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 235.33 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methyl-3-(methylaminomethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 82522073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).