5-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-2-carboxylic acid

C12H16N2O3 — CID 114468082

IUPAC5-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-2-carboxylic acid
SMILESC=C(C)COCCNc1ccc(C(=O)O)nc1
InChIInChI=1S/C12H16N2O3/c1-9(2)8-17-6-5-13-10-3-4-11(12(15)16)14-7-10/h3-4,7,13H,1,5-6,8H2,2H3,(H,15,16)
InChIKeyFCZZFOBQVUOVBF-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.78
Rot. Bonds7

About 5-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-2-carboxylic acid

5-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-2-carboxylic acid (PubChem CID 114468082) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-2-carboxylic acid
PubChem CID114468082
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name5-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-2-carboxylic acid
SMILESC=C(C)COCCNc1ccc(C(=O)O)nc1
InChIInChI=1S/C12H16N2O3/c1-9(2)8-17-6-5-13-10-3-4-11(12(15)16)14-7-10/h3-4,7,13H,1,5-6,8H2,2H3,(H,15,16)
InChIKeyFCZZFOBQVUOVBF-UHFFFAOYSA-N
XLogP1.78
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid
CID 115490932
5-(2-carbamoyloxyethylamino)pyridine-2-carboxylic acid
CID 104638978
5-(3-propoxypropylamino)pyridine-2-carboxylic acid
CID 82947168
6-[2-(2-methylprop-2-enoxy)ethylamino]pyrazine-2-carboxylic acid
CID 114468104
6-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-3-carboxylic acid
CID 114468121
5-(2-methylsulfonylethylamino)pyridine-2-carboxylic acid
CID 115490610
5-[(2-propoxyacetyl)amino]pyridine-2-carboxylic acid
CID 107938243
5-(3-hydroxypropylamino)pyridine-2-carboxylic acid
CID 115490634
5-acetamidopyridine-2-carboxylic acid
CID 5278292
5-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 104638856
4-[2-(2-methylprop-2-enoxy)ethylamino]quinoline-2-carboxylic acid
CID 114468112
5-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 113435949

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-2-carboxylic acid (CID 114468082) is 5-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-2-carboxylic acid is C=C(C)COCCNc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-2-carboxylic acid?
The InChIKey is FCZZFOBQVUOVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-9(2)8-17-6-5-13-10-3-4-11(12(15)16)14-7-10/h3-4,7,13H,1,5-6,8H2,2H3,(H,15,16).
What are the key properties of 5-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-2-carboxylic acid?
5-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-2-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 114468082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).