2-(4-ethyl-2-oxo-1H-pyrido[2,3-d][1,3]oxazin-4-yl)ethyl-methylazanium

C12H18N3O2+ — CID 143851618

IUPAC2-(4-ethyl-2-oxo-1H-pyrido[2,3-d][1,3]oxazin-4-yl)ethyl-methylazanium
SMILESCCC1(CC[NH2+]C)OC(=O)Nc2ncccc21
InChIInChI=1S/C12H17N3O2/c1-3-12(6-8-13-2)9-5-4-7-14-10(9)15-11(16)17-12/h4-5,7,13H,3,6,8H2,1-2H3,(H,14,15,16)/p+1
InChIKeyAPEMUGFFVLLACA-UHFFFAOYSA-O
MW236.29 g/mol
LogP0.83
Rot. Bonds4

About 2-(4-ethyl-2-oxo-1H-pyrido[2,3-d][1,3]oxazin-4-yl)ethyl-methylazanium

2-(4-ethyl-2-oxo-1H-pyrido[2,3-d][1,3]oxazin-4-yl)ethyl-methylazanium (PubChem CID 143851618) has the molecular formula C12H18N3O2+ and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-(4-ethyl-2-oxo-1H-pyrido[2,3-d][1,3]oxazin-4-yl)ethyl-methylazanium.

Molecular Properties

Compound Name2-(4-ethyl-2-oxo-1H-pyrido[2,3-d][1,3]oxazin-4-yl)ethyl-methylazanium
PubChem CID143851618
Molecular FormulaC12H18N3O2+
Molecular Weight236.29 g/mol
Exact Mass236.14
IUPAC Name2-(4-ethyl-2-oxo-1H-pyrido[2,3-d][1,3]oxazin-4-yl)ethyl-methylazanium
SMILESCCC1(CC[NH2+]C)OC(=O)Nc2ncccc21
InChIInChI=1S/C12H17N3O2/c1-3-12(6-8-13-2)9-5-4-7-14-10(9)15-11(16)17-12/h4-5,7,13H,3,6,8H2,1-2H3,(H,14,15,16)/p+1
InChIKeyAPEMUGFFVLLACA-UHFFFAOYSA-O
XLogP0.83
TPSA67.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-ethyl-2-oxo-1H-pyrido[2,3-d][1,3]oxazin-4-yl)ethyl-methylazanium 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 2-(4-ethyl-2-oxo-1H-pyrido[2,3-d][1,3]oxazin-4-yl)ethyl-methylazanium?
The IUPAC name of 2-(4-ethyl-2-oxo-1H-pyrido[2,3-d][1,3]oxazin-4-yl)ethyl-methylazanium (CID 143851618) is 2-(4-ethyl-2-oxo-1H-pyrido[2,3-d][1,3]oxazin-4-yl)ethyl-methylazanium.
What is the SMILES notation for 2-(4-ethyl-2-oxo-1H-pyrido[2,3-d][1,3]oxazin-4-yl)ethyl-methylazanium?
The canonical SMILES for 2-(4-ethyl-2-oxo-1H-pyrido[2,3-d][1,3]oxazin-4-yl)ethyl-methylazanium is CCC1(CC[NH2+]C)OC(=O)Nc2ncccc21.
What is the InChIKey of 2-(4-ethyl-2-oxo-1H-pyrido[2,3-d][1,3]oxazin-4-yl)ethyl-methylazanium?
The InChIKey is APEMUGFFVLLACA-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H17N3O2/c1-3-12(6-8-13-2)9-5-4-7-14-10(9)15-11(16)17-12/h4-5,7,13H,3,6,8H2,1-2H3,(H,14,15,16)/p+1.
What are the key properties of 2-(4-ethyl-2-oxo-1H-pyrido[2,3-d][1,3]oxazin-4-yl)ethyl-methylazanium?
2-(4-ethyl-2-oxo-1H-pyrido[2,3-d][1,3]oxazin-4-yl)ethyl-methylazanium has a molecular weight of 236.29 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-oxo-1H-pyrido[2,3-d][1,3]oxazin-4-yl)ethyl-methylazanium is sourced from PubChem (CID 143851618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).