6-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-3-carboxylic acid

C12H16N2O3 — CID 114468121

IUPAC6-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-3-carboxylic acid
SMILESC=C(C)COCCNc1ccc(C(=O)O)cn1
InChIInChI=1S/C12H16N2O3/c1-9(2)8-17-6-5-13-11-4-3-10(7-14-11)12(15)16/h3-4,7H,1,5-6,8H2,2H3,(H,13,14)(H,15,16)
InChIKeyUZBRGZXCMFMTAQ-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.78
Rot. Bonds7

About 6-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-3-carboxylic acid

6-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-3-carboxylic acid (PubChem CID 114468121) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-3-carboxylic acid
PubChem CID114468121
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name6-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-3-carboxylic acid
SMILESC=C(C)COCCNc1ccc(C(=O)O)cn1
InChIInChI=1S/C12H16N2O3/c1-9(2)8-17-6-5-13-11-4-3-10(7-14-11)12(15)16/h3-4,7H,1,5-6,8H2,2H3,(H,13,14)(H,15,16)
InChIKeyUZBRGZXCMFMTAQ-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-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]pyridin-2-amine
CID 106504298
5-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-2-carboxylic acid
CID 114468082
6-[2-(2-methylprop-2-enoxy)ethylamino]pyrazine-2-carboxylic acid
CID 114468104
6-(4-propan-2-yloxybutylamino)pyridine-3-carboxylic acid
CID 106003848
6-[2-(2-amino-2-oxoethoxy)ethylamino]-N,N-dimethylpyridine-3-carboxamide
CID 106239261
6-(nonylamino)pyridine-3-carboxylic acid
CID 20503604
6-(4-methylpentylamino)pyridine-3-carboxylic acid
CID 63002439
N,N-dimethyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carboxamide
CID 78956359
2-[2-(2-methylprop-2-enoxy)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 114469640
6-(2-pyridin-4-ylethylamino)pyridine-3-carboxylic acid
CID 60903457
N-(2-ethoxyethyl)-6-(propylamino)pyridine-3-carboxamide
CID 62187218
6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylic acid
CID 28740301

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-3-carboxylic acid (CID 114468121) is 6-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-3-carboxylic acid is C=C(C)COCCNc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-3-carboxylic acid?
The InChIKey is UZBRGZXCMFMTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-9(2)8-17-6-5-13-11-4-3-10(7-14-11)12(15)16/h3-4,7H,1,5-6,8H2,2H3,(H,13,14)(H,15,16).
What are the key properties of 6-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-3-carboxylic acid?
6-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-3-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 6-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 114468121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).