methyl 3-amino-2-(2-cyclobutylethoxy)pyridine-4-carboxylate

C13H18N2O3 — CID 114157712

IUPACmethyl 3-amino-2-(2-cyclobutylethoxy)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(OCCC2CCC2)c1N
InChIInChI=1S/C13H18N2O3/c1-17-13(16)10-5-7-15-12(11(10)14)18-8-6-9-3-2-4-9/h5,7,9H,2-4,6,8,14H2,1H3
InChIKeyZLIFBPJXIASGLV-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.02
Rot. Bonds5

About methyl 3-amino-2-(2-cyclobutylethoxy)pyridine-4-carboxylate

methyl 3-amino-2-(2-cyclobutylethoxy)pyridine-4-carboxylate (PubChem CID 114157712) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl 3-amino-2-(2-cyclobutylethoxy)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-2-(2-cyclobutylethoxy)pyridine-4-carboxylate
PubChem CID114157712
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Namemethyl 3-amino-2-(2-cyclobutylethoxy)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(OCCC2CCC2)c1N
InChIInChI=1S/C13H18N2O3/c1-17-13(16)10-5-7-15-12(11(10)14)18-8-6-9-3-2-4-9/h5,7,9H,2-4,6,8,14H2,1H3
InChIKeyZLIFBPJXIASGLV-UHFFFAOYSA-N
XLogP2.02
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-amino-2-(2-cyclobutylethoxy)pyridine-4-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

3-amino-2-(2-cyclopropylethoxy)pyridine-4-carboxylic acid
CID 106203425
methyl 3-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboxylate
CID 112588507
3-(2-cyclobutylethoxy)pyridazine-4-carboxylic acid
CID 106206427
methyl 5-amino-3-chloro-2-(2-cyclobutylethoxy)benzoate
CID 106203449
3-chloro-2-(2-cyclobutylethoxy)-N'-hydroxypyridine-4-carboximidamide
CID 137011760
2-(2-cyclobutylethoxy)-6-methoxypyridine-3-carboxamide
CID 130249219
ethyl 3-amino-2-(3-methoxy-3-methylbutoxy)pyridine-4-carboxylate
CID 106666343
methyl 4-amino-3-(2-cyclopentylethoxy)benzoate
CID 114191521
methyl 5-amino-2-(2-cyclopropylethoxy)pyridine-4-carboxylate
CID 106203427
ethyl 3-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboxylate
CID 115942367
methyl 3-amino-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylate
CID 107713848
2-cyclobutylethyl 2-bromopyridine-3-carboxylate
CID 106206637

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-(2-cyclobutylethoxy)pyridine-4-carboxylate?
The IUPAC name of methyl 3-amino-2-(2-cyclobutylethoxy)pyridine-4-carboxylate (CID 114157712) is methyl 3-amino-2-(2-cyclobutylethoxy)pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-amino-2-(2-cyclobutylethoxy)pyridine-4-carboxylate?
The canonical SMILES for methyl 3-amino-2-(2-cyclobutylethoxy)pyridine-4-carboxylate is COC(=O)c1ccnc(OCCC2CCC2)c1N.
What is the InChIKey of methyl 3-amino-2-(2-cyclobutylethoxy)pyridine-4-carboxylate?
The InChIKey is ZLIFBPJXIASGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-17-13(16)10-5-7-15-12(11(10)14)18-8-6-9-3-2-4-9/h5,7,9H,2-4,6,8,14H2,1H3.
What are the key properties of methyl 3-amino-2-(2-cyclobutylethoxy)pyridine-4-carboxylate?
methyl 3-amino-2-(2-cyclobutylethoxy)pyridine-4-carboxylate has a molecular weight of 250.30 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-(2-cyclobutylethoxy)pyridine-4-carboxylate is sourced from PubChem (CID 114157712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).