methyl 3-methyl-5-[2-(methylamino)ethoxy]pyridine-2-carboxylate

C11H16N2O3 — CID 142465477

IUPACmethyl 3-methyl-5-[2-(methylamino)ethoxy]pyridine-2-carboxylate
SMILESCNCCOc1cnc(C(=O)OC)c(C)c1
InChIInChI=1S/C11H16N2O3/c1-8-6-9(16-5-4-12-2)7-13-10(8)11(14)15-3/h6-7,12H,4-5H2,1-3H3
InChIKeySUZRKNRISDPAEJ-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.77
Rot. Bonds5

About methyl 3-methyl-5-[2-(methylamino)ethoxy]pyridine-2-carboxylate

methyl 3-methyl-5-[2-(methylamino)ethoxy]pyridine-2-carboxylate (PubChem CID 142465477) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl 3-methyl-5-[2-(methylamino)ethoxy]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-5-[2-(methylamino)ethoxy]pyridine-2-carboxylate
PubChem CID142465477
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Namemethyl 3-methyl-5-[2-(methylamino)ethoxy]pyridine-2-carboxylate
SMILESCNCCOc1cnc(C(=O)OC)c(C)c1
InChIInChI=1S/C11H16N2O3/c1-8-6-9(16-5-4-12-2)7-13-10(8)11(14)15-3/h6-7,12H,4-5H2,1-3H3
InChIKeySUZRKNRISDPAEJ-UHFFFAOYSA-N
XLogP0.77
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-5-[2-(methylamino)ethoxy]pyridine-2-carboxylate?
The IUPAC name of methyl 3-methyl-5-[2-(methylamino)ethoxy]pyridine-2-carboxylate (CID 142465477) is methyl 3-methyl-5-[2-(methylamino)ethoxy]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-methyl-5-[2-(methylamino)ethoxy]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-methyl-5-[2-(methylamino)ethoxy]pyridine-2-carboxylate is CNCCOc1cnc(C(=O)OC)c(C)c1.
What is the InChIKey of methyl 3-methyl-5-[2-(methylamino)ethoxy]pyridine-2-carboxylate?
The InChIKey is SUZRKNRISDPAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8-6-9(16-5-4-12-2)7-13-10(8)11(14)15-3/h6-7,12H,4-5H2,1-3H3.
What are the key properties of methyl 3-methyl-5-[2-(methylamino)ethoxy]pyridine-2-carboxylate?
methyl 3-methyl-5-[2-(methylamino)ethoxy]pyridine-2-carboxylate has a molecular weight of 224.26 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-5-[2-(methylamino)ethoxy]pyridine-2-carboxylate is sourced from PubChem (CID 142465477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).