methyl 4-methoxy-3,6-dimethyl-2H-pyridine-1-carboxylate

C10H15NO3 — CID 167368992

IUPACmethyl 4-methoxy-3,6-dimethyl-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1CC(C)=C(OC)C=C1C
InChIInChI=1S/C10H15NO3/c1-7-6-11(10(12)14-4)8(2)5-9(7)13-3/h5H,6H2,1-4H3
InChIKeyGMNHZXOMEZMIAW-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.89
Rot. Bonds1

About methyl 4-methoxy-3,6-dimethyl-2H-pyridine-1-carboxylate

methyl 4-methoxy-3,6-dimethyl-2H-pyridine-1-carboxylate (PubChem CID 167368992) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is methyl 4-methoxy-3,6-dimethyl-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxy-3,6-dimethyl-2H-pyridine-1-carboxylate
PubChem CID167368992
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Namemethyl 4-methoxy-3,6-dimethyl-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1CC(C)=C(OC)C=C1C
InChIInChI=1S/C10H15NO3/c1-7-6-11(10(12)14-4)8(2)5-9(7)13-3/h5H,6H2,1-4H3
InChIKeyGMNHZXOMEZMIAW-UHFFFAOYSA-N
XLogP1.89
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 4-methoxy-3,6-dimethyl-2H-pyridine-1-carboxylate 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 methyl 4-methoxy-3,6-dimethyl-2H-pyridine-1-carboxylate?
The IUPAC name of methyl 4-methoxy-3,6-dimethyl-2H-pyridine-1-carboxylate (CID 167368992) is methyl 4-methoxy-3,6-dimethyl-2H-pyridine-1-carboxylate.
What is the SMILES notation for methyl 4-methoxy-3,6-dimethyl-2H-pyridine-1-carboxylate?
The canonical SMILES for methyl 4-methoxy-3,6-dimethyl-2H-pyridine-1-carboxylate is COC(=O)N1CC(C)=C(OC)C=C1C.
What is the InChIKey of methyl 4-methoxy-3,6-dimethyl-2H-pyridine-1-carboxylate?
The InChIKey is GMNHZXOMEZMIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7-6-11(10(12)14-4)8(2)5-9(7)13-3/h5H,6H2,1-4H3.
What are the key properties of methyl 4-methoxy-3,6-dimethyl-2H-pyridine-1-carboxylate?
methyl 4-methoxy-3,6-dimethyl-2H-pyridine-1-carboxylate has a molecular weight of 197.23 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-3,6-dimethyl-2H-pyridine-1-carboxylate is sourced from PubChem (CID 167368992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).