4,4-dimethyl-1H-pyrido[2,3-d][1,3]oxazin-2-one

C9H10N2O2 — CID 68620164

IUPAC4,4-dimethyl-1H-pyrido[2,3-d][1,3]oxazin-2-one
SMILESCC1(C)OC(=O)Nc2ncccc21
InChIInChI=1S/C9H10N2O2/c1-9(2)6-4-3-5-10-7(6)11-8(12)13-9/h3-5H,1-2H3,(H,10,11,12)
InChIKeyYKJUGFJWVDMTFQ-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.88
Rot. Bonds

About 4,4-dimethyl-1H-pyrido[2,3-d][1,3]oxazin-2-one

4,4-dimethyl-1H-pyrido[2,3-d][1,3]oxazin-2-one (PubChem CID 68620164) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 4,4-dimethyl-1H-pyrido[2,3-d][1,3]oxazin-2-one.

Molecular Properties

Compound Name4,4-dimethyl-1H-pyrido[2,3-d][1,3]oxazin-2-one
PubChem CID68620164
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name4,4-dimethyl-1H-pyrido[2,3-d][1,3]oxazin-2-one
SMILESCC1(C)OC(=O)Nc2ncccc21
InChIInChI=1S/C9H10N2O2/c1-9(2)6-4-3-5-10-7(6)11-8(12)13-9/h3-5H,1-2H3,(H,10,11,12)
InChIKeyYKJUGFJWVDMTFQ-UHFFFAOYSA-N
XLogP1.88
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,4-dimethyl-1H-pyrido[2,3-d][1,3]oxazin-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 4,4-dimethyl-1H-pyrido[2,3-d][1,3]oxazin-2-one?
The IUPAC name of 4,4-dimethyl-1H-pyrido[2,3-d][1,3]oxazin-2-one (CID 68620164) is 4,4-dimethyl-1H-pyrido[2,3-d][1,3]oxazin-2-one.
What is the SMILES notation for 4,4-dimethyl-1H-pyrido[2,3-d][1,3]oxazin-2-one?
The canonical SMILES for 4,4-dimethyl-1H-pyrido[2,3-d][1,3]oxazin-2-one is CC1(C)OC(=O)Nc2ncccc21.
What is the InChIKey of 4,4-dimethyl-1H-pyrido[2,3-d][1,3]oxazin-2-one?
The InChIKey is YKJUGFJWVDMTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-9(2)6-4-3-5-10-7(6)11-8(12)13-9/h3-5H,1-2H3,(H,10,11,12).
What are the key properties of 4,4-dimethyl-1H-pyrido[2,3-d][1,3]oxazin-2-one?
4,4-dimethyl-1H-pyrido[2,3-d][1,3]oxazin-2-one has a molecular weight of 178.19 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1H-pyrido[2,3-d][1,3]oxazin-2-one is sourced from PubChem (CID 68620164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).