ethyl 4,6-dimethyl-2-(methylamino)pyridine-3-carboxylate

C11H16N2O2 — CID 11127499

IUPACethyl 4,6-dimethyl-2-(methylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)cc(C)nc1NC
InChIInChI=1S/C11H16N2O2/c1-5-15-11(14)9-7(2)6-8(3)13-10(9)12-4/h6H,5H2,1-4H3,(H,12,13)
InChIKeyCOELSDXAQIBMBD-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.92
Rot. Bonds3

About ethyl 4,6-dimethyl-2-(methylamino)pyridine-3-carboxylate

ethyl 4,6-dimethyl-2-(methylamino)pyridine-3-carboxylate (PubChem CID 11127499) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is ethyl 4,6-dimethyl-2-(methylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4,6-dimethyl-2-(methylamino)pyridine-3-carboxylate
PubChem CID11127499
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Nameethyl 4,6-dimethyl-2-(methylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)cc(C)nc1NC
InChIInChI=1S/C11H16N2O2/c1-5-15-11(14)9-7(2)6-8(3)13-10(9)12-4/h6H,5H2,1-4H3,(H,12,13)
InChIKeyCOELSDXAQIBMBD-UHFFFAOYSA-N
XLogP1.92
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4,6-dimethyl-2-(methylamino)pyridine-3-carboxylate?
The IUPAC name of ethyl 4,6-dimethyl-2-(methylamino)pyridine-3-carboxylate (CID 11127499) is ethyl 4,6-dimethyl-2-(methylamino)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4,6-dimethyl-2-(methylamino)pyridine-3-carboxylate?
The canonical SMILES for ethyl 4,6-dimethyl-2-(methylamino)pyridine-3-carboxylate is CCOC(=O)c1c(C)cc(C)nc1NC.
What is the InChIKey of ethyl 4,6-dimethyl-2-(methylamino)pyridine-3-carboxylate?
The InChIKey is COELSDXAQIBMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-5-15-11(14)9-7(2)6-8(3)13-10(9)12-4/h6H,5H2,1-4H3,(H,12,13).
What are the key properties of ethyl 4,6-dimethyl-2-(methylamino)pyridine-3-carboxylate?
ethyl 4,6-dimethyl-2-(methylamino)pyridine-3-carboxylate has a molecular weight of 208.26 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,6-dimethyl-2-(methylamino)pyridine-3-carboxylate is sourced from PubChem (CID 11127499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).