ethyl 5-amino-3-methylpyridine-2-carboxylate

C9H12N2O2 — CID 118878054

IUPACethyl 5-amino-3-methylpyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(N)cc1C
InChIInChI=1S/C9H12N2O2/c1-3-13-9(12)8-6(2)4-7(10)5-11-8/h4-5H,3,10H2,1-2H3
InChIKeyLILIXCUOLXPXGC-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.15
Rot. Bonds2

About ethyl 5-amino-3-methylpyridine-2-carboxylate

ethyl 5-amino-3-methylpyridine-2-carboxylate (PubChem CID 118878054) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is ethyl 5-amino-3-methylpyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-3-methylpyridine-2-carboxylate
PubChem CID118878054
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Nameethyl 5-amino-3-methylpyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(N)cc1C
InChIInChI=1S/C9H12N2O2/c1-3-13-9(12)8-6(2)4-7(10)5-11-8/h4-5H,3,10H2,1-2H3
InChIKeyLILIXCUOLXPXGC-UHFFFAOYSA-N
XLogP1.15
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 5-amino-3-methylpyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-amino-3-fluoropyridine-2-carboxylate
CID 119005075
ethyl 5-formyl-3-methylpyridine-2-carboxylate
CID 145295306
ethyl 5-amino-3-(2H-tetrazol-5-yl)pyridine-2-carboxylate
CID 170434323
ethyl 3,5-diethylpyridine-2-carboxylate
CID 67884033
diethyl 5-chloropyridine-2,3-dicarboxylate
CID 14097638
N-(5-amino-3-methyl-2-pyridinyl)propanamide
CID 112555431
ethyl 5-amino-2-(5-amino-6-ethoxycarbonyl-3-pyridinyl)-1,3-thiazole-4-carboxylate
CID 166903913
ethyl 6-amino-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
CID 123135469
ethyl 5-aminopyridazine-3-carboxylate
CID 58897536
ethyl 5-bromo-3-iodopyridine-2-carboxylate
CID 133062271
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198
diethyl 5-(bromomethyl)pyridine-2,3-dicarboxylate
CID 141448737

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-3-methylpyridine-2-carboxylate?
The IUPAC name of ethyl 5-amino-3-methylpyridine-2-carboxylate (CID 118878054) is ethyl 5-amino-3-methylpyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-amino-3-methylpyridine-2-carboxylate?
The canonical SMILES for ethyl 5-amino-3-methylpyridine-2-carboxylate is CCOC(=O)c1ncc(N)cc1C.
What is the InChIKey of ethyl 5-amino-3-methylpyridine-2-carboxylate?
The InChIKey is LILIXCUOLXPXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-3-13-9(12)8-6(2)4-7(10)5-11-8/h4-5H,3,10H2,1-2H3.
What are the key properties of ethyl 5-amino-3-methylpyridine-2-carboxylate?
ethyl 5-amino-3-methylpyridine-2-carboxylate has a molecular weight of 180.21 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-3-methylpyridine-2-carboxylate is sourced from PubChem (CID 118878054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).