6-(3-propan-2-yloxypropylamino)pyridine-2-carboxylic acid

C12H18N2O3 — CID 122052680

IUPAC6-(3-propan-2-yloxypropylamino)pyridine-2-carboxylic acid
SMILESCC(C)OCCCNc1cccc(C(=O)O)n1
InChIInChI=1S/C12H18N2O3/c1-9(2)17-8-4-7-13-11-6-3-5-10(14-11)12(15)16/h3,5-6,9H,4,7-8H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyAJNOOIRLOCZTOZ-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.01
Rot. Bonds7

About 6-(3-propan-2-yloxypropylamino)pyridine-2-carboxylic acid

6-(3-propan-2-yloxypropylamino)pyridine-2-carboxylic acid (PubChem CID 122052680) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 6-(3-propan-2-yloxypropylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-propan-2-yloxypropylamino)pyridine-2-carboxylic acid
PubChem CID122052680
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name6-(3-propan-2-yloxypropylamino)pyridine-2-carboxylic acid
SMILESCC(C)OCCCNc1cccc(C(=O)O)n1
InChIInChI=1S/C12H18N2O3/c1-9(2)17-8-4-7-13-11-6-3-5-10(14-11)12(15)16/h3,5-6,9H,4,7-8H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyAJNOOIRLOCZTOZ-UHFFFAOYSA-N
XLogP2.01
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(3-phenoxypropylamino)pyridine-2-carboxylic acid
CID 62380614
6-(4-propan-2-yloxybutylamino)pyridine-2-carbothioamide
CID 114136897
6-(4-hydroxyhexylamino)pyridine-2-carboxylic acid
CID 122053976
6-[(5-hydroxy-3-methylpentyl)amino]pyridine-2-carboxylic acid
CID 122057794
6-(3-cyanopropylamino)pyridine-2-carboxylic acid
CID 122050966
6-(2-propan-2-yloxyethylcarbamoyl)pyridine-2-carboxylic acid
CID 104764713
6-(2-propan-2-yloxyethylamino)pyridine-2-carbothioamide
CID 104761801
6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carboxylic acid
CID 106247946
6-(hex-5-ynylamino)pyridine-2-carboxylic acid
CID 106213743
6-[2-(1-methylcyclopropyl)ethylamino]pyridine-2-carboxylic acid
CID 122057061
6-[(4-hydroxy-2-methylbutyl)amino]pyridine-2-carboxylic acid
CID 66107956
6-(5,5,5-trifluoropentylamino)pyridine-2-carboxylic acid
CID 115520118

Frequently Asked Questions

What is the IUPAC name of 6-(3-propan-2-yloxypropylamino)pyridine-2-carboxylic acid?
The IUPAC name of 6-(3-propan-2-yloxypropylamino)pyridine-2-carboxylic acid (CID 122052680) is 6-(3-propan-2-yloxypropylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(3-propan-2-yloxypropylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(3-propan-2-yloxypropylamino)pyridine-2-carboxylic acid is CC(C)OCCCNc1cccc(C(=O)O)n1.
What is the InChIKey of 6-(3-propan-2-yloxypropylamino)pyridine-2-carboxylic acid?
The InChIKey is AJNOOIRLOCZTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9(2)17-8-4-7-13-11-6-3-5-10(14-11)12(15)16/h3,5-6,9H,4,7-8H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 6-(3-propan-2-yloxypropylamino)pyridine-2-carboxylic acid?
6-(3-propan-2-yloxypropylamino)pyridine-2-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-propan-2-yloxypropylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 122052680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).