1-ethoxypropan-2-yl 6-aminopyridine-3-carboxylate

C11H16N2O3 — CID 103489205

IUPAC1-ethoxypropan-2-yl 6-aminopyridine-3-carboxylate
SMILESCCOCC(C)OC(=O)c1ccc(N)nc1
InChIInChI=1S/C11H16N2O3/c1-3-15-7-8(2)16-11(14)9-4-5-10(12)13-6-9/h4-6,8H,3,7H2,1-2H3,(H2,12,13)
InChIKeyGCFVKKNRYRJIQE-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.25
Rot. Bonds5

About 1-ethoxypropan-2-yl 6-aminopyridine-3-carboxylate

1-ethoxypropan-2-yl 6-aminopyridine-3-carboxylate (PubChem CID 103489205) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-ethoxypropan-2-yl 6-aminopyridine-3-carboxylate.

Molecular Properties

Compound Name1-ethoxypropan-2-yl 6-aminopyridine-3-carboxylate
PubChem CID103489205
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name1-ethoxypropan-2-yl 6-aminopyridine-3-carboxylate
SMILESCCOCC(C)OC(=O)c1ccc(N)nc1
InChIInChI=1S/C11H16N2O3/c1-3-15-7-8(2)16-11(14)9-4-5-10(12)13-6-9/h4-6,8H,3,7H2,1-2H3,(H2,12,13)
InChIKeyGCFVKKNRYRJIQE-UHFFFAOYSA-N
XLogP1.25
TPSA74.44 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 ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylpentyl 6-aminopyridine-3-carboxylate
CID 103284118
1-ethoxypropan-2-yl 3-amino-4-methoxybenzoate
CID 103489037
1-ethoxypropan-2-yl 2,4-diaminobenzoate
CID 103489471
1-ethoxypropan-2-yl 4-(2-hydroxyethylamino)benzoate
CID 103489106
1-ethoxypropan-2-yl 2-amino-4-bromobenzoate
CID 103488997
1-ethoxypropan-2-yl 5-amino-2-chloropyridine-4-carboxylate
CID 114090919
6-amino-N-(2-ethoxyethyl)-N-ethylpyridine-3-carboxamide
CID 63690796
6-(1-ethoxypropan-2-yloxymethyl)pyridine-3-carboxylic acid
CID 103486126
1-ethoxypropan-2-yl 3-chlorobenzoate
CID 71145006
1-ethoxypropan-2-yl 4-methoxy-3-sulfamoylbenzoate
CID 103491207
6-amino-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyridine-3-carboxamide
CID 62187168
1-ethoxypropan-2-yl 2-amino-5-bromobenzoate
CID 103489075

Frequently Asked Questions

What is the IUPAC name of 1-ethoxypropan-2-yl 6-aminopyridine-3-carboxylate?
The IUPAC name of 1-ethoxypropan-2-yl 6-aminopyridine-3-carboxylate (CID 103489205) is 1-ethoxypropan-2-yl 6-aminopyridine-3-carboxylate.
What is the SMILES notation for 1-ethoxypropan-2-yl 6-aminopyridine-3-carboxylate?
The canonical SMILES for 1-ethoxypropan-2-yl 6-aminopyridine-3-carboxylate is CCOCC(C)OC(=O)c1ccc(N)nc1.
What is the InChIKey of 1-ethoxypropan-2-yl 6-aminopyridine-3-carboxylate?
The InChIKey is GCFVKKNRYRJIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-3-15-7-8(2)16-11(14)9-4-5-10(12)13-6-9/h4-6,8H,3,7H2,1-2H3,(H2,12,13).
What are the key properties of 1-ethoxypropan-2-yl 6-aminopyridine-3-carboxylate?
1-ethoxypropan-2-yl 6-aminopyridine-3-carboxylate has a molecular weight of 224.26 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypropan-2-yl 6-aminopyridine-3-carboxylate is sourced from PubChem (CID 103489205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).