tert-butyl 5-methoxy-2,4-dimethyl-4H-pyridine-1-carboxylate

C13H21NO3 — CID 14171869

IUPACtert-butyl 5-methoxy-2,4-dimethyl-4H-pyridine-1-carboxylate
SMILESCOC1=CN(C(=O)OC(C)(C)C)C(C)=CC1C
InChIInChI=1S/C13H21NO3/c1-9-7-10(2)14(8-11(9)16-6)12(15)17-13(3,4)5/h7-9H,1-6H3
InChIKeyJXUQRNZJTXIWSB-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.26
Rot. Bonds1

About tert-butyl 5-methoxy-2,4-dimethyl-4H-pyridine-1-carboxylate

tert-butyl 5-methoxy-2,4-dimethyl-4H-pyridine-1-carboxylate (PubChem CID 14171869) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is tert-butyl 5-methoxy-2,4-dimethyl-4H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-methoxy-2,4-dimethyl-4H-pyridine-1-carboxylate
PubChem CID14171869
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Nametert-butyl 5-methoxy-2,4-dimethyl-4H-pyridine-1-carboxylate
SMILESCOC1=CN(C(=O)OC(C)(C)C)C(C)=CC1C
InChIInChI=1S/C13H21NO3/c1-9-7-10(2)14(8-11(9)16-6)12(15)17-13(3,4)5/h7-9H,1-6H3
InChIKeyJXUQRNZJTXIWSB-UHFFFAOYSA-N
XLogP3.26
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 5-methoxy-2,4-dimethyl-4H-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 tert-butyl 5-methoxy-2,4-dimethyl-4H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 5-methoxy-2,4-dimethyl-4H-pyridine-1-carboxylate (CID 14171869) is tert-butyl 5-methoxy-2,4-dimethyl-4H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 5-methoxy-2,4-dimethyl-4H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 5-methoxy-2,4-dimethyl-4H-pyridine-1-carboxylate is COC1=CN(C(=O)OC(C)(C)C)C(C)=CC1C.
What is the InChIKey of tert-butyl 5-methoxy-2,4-dimethyl-4H-pyridine-1-carboxylate?
The InChIKey is JXUQRNZJTXIWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-9-7-10(2)14(8-11(9)16-6)12(15)17-13(3,4)5/h7-9H,1-6H3.
What are the key properties of tert-butyl 5-methoxy-2,4-dimethyl-4H-pyridine-1-carboxylate?
tert-butyl 5-methoxy-2,4-dimethyl-4H-pyridine-1-carboxylate has a molecular weight of 239.31 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-methoxy-2,4-dimethyl-4H-pyridine-1-carboxylate is sourced from PubChem (CID 14171869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).