5,7-dimethyl-1-[2-(methylamino)ethyl]-1,8-naphthyridin-2-one

C13H17N3O — CID 23335383

IUPAC5,7-dimethyl-1-[2-(methylamino)ethyl]-1,8-naphthyridin-2-one
SMILESCNCCn1c(=O)ccc2c(C)cc(C)nc21
InChIInChI=1S/C13H17N3O/c1-9-8-10(2)15-13-11(9)4-5-12(17)16(13)7-6-14-3/h4-5,8,14H,6-7H2,1-3H3
InChIKeyJKWJCHYINBNYTQ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.23
Rot. Bonds3

About 5,7-dimethyl-1-[2-(methylamino)ethyl]-1,8-naphthyridin-2-one

5,7-dimethyl-1-[2-(methylamino)ethyl]-1,8-naphthyridin-2-one (PubChem CID 23335383) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 5,7-dimethyl-1-[2-(methylamino)ethyl]-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name5,7-dimethyl-1-[2-(methylamino)ethyl]-1,8-naphthyridin-2-one
PubChem CID23335383
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name5,7-dimethyl-1-[2-(methylamino)ethyl]-1,8-naphthyridin-2-one
SMILESCNCCn1c(=O)ccc2c(C)cc(C)nc21
InChIInChI=1S/C13H17N3O/c1-9-8-10(2)15-13-11(9)4-5-12(17)16(13)7-6-14-3/h4-5,8,14H,6-7H2,1-3H3
InChIKeyJKWJCHYINBNYTQ-UHFFFAOYSA-N
XLogP1.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,7-dimethyl-1-[2-(methylamino)ethyl]-1,8-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 5,7-dimethyl-1-[2-(methylamino)ethyl]-1,8-naphthyridin-2-one?
The IUPAC name of 5,7-dimethyl-1-[2-(methylamino)ethyl]-1,8-naphthyridin-2-one (CID 23335383) is 5,7-dimethyl-1-[2-(methylamino)ethyl]-1,8-naphthyridin-2-one.
What is the SMILES notation for 5,7-dimethyl-1-[2-(methylamino)ethyl]-1,8-naphthyridin-2-one?
The canonical SMILES for 5,7-dimethyl-1-[2-(methylamino)ethyl]-1,8-naphthyridin-2-one is CNCCn1c(=O)ccc2c(C)cc(C)nc21.
What is the InChIKey of 5,7-dimethyl-1-[2-(methylamino)ethyl]-1,8-naphthyridin-2-one?
The InChIKey is JKWJCHYINBNYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-8-10(2)15-13-11(9)4-5-12(17)16(13)7-6-14-3/h4-5,8,14H,6-7H2,1-3H3.
What are the key properties of 5,7-dimethyl-1-[2-(methylamino)ethyl]-1,8-naphthyridin-2-one?
5,7-dimethyl-1-[2-(methylamino)ethyl]-1,8-naphthyridin-2-one has a molecular weight of 231.30 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-1-[2-(methylamino)ethyl]-1,8-naphthyridin-2-one is sourced from PubChem (CID 23335383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).