6-(3-phenoxypropylamino)pyridine-2-carboxylic acid

C15H16N2O3 — CID 62380614

IUPAC6-(3-phenoxypropylamino)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NCCCOc2ccccc2)n1
InChIInChI=1S/C15H16N2O3/c18-15(19)13-8-4-9-14(17-13)16-10-5-11-20-12-6-2-1-3-7-12/h1-4,6-9H,5,10-11H2,(H,16,17)(H,18,19)
InChIKeyANPDXIFWXLREAY-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.66
Rot. Bonds7

About 6-(3-phenoxypropylamino)pyridine-2-carboxylic acid

6-(3-phenoxypropylamino)pyridine-2-carboxylic acid (PubChem CID 62380614) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 6-(3-phenoxypropylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-phenoxypropylamino)pyridine-2-carboxylic acid
PubChem CID62380614
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name6-(3-phenoxypropylamino)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NCCCOc2ccccc2)n1
InChIInChI=1S/C15H16N2O3/c18-15(19)13-8-4-9-14(17-13)16-10-5-11-20-12-6-2-1-3-7-12/h1-4,6-9H,5,10-11H2,(H,16,17)(H,18,19)
InChIKeyANPDXIFWXLREAY-UHFFFAOYSA-N
XLogP2.66
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.66
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-propan-2-yloxypropylamino)pyridine-2-carboxylic acid
CID 122052680
6-[(3-phenoxypropylamino)methyl]pyridine-2-carboxylic acid
CID 106904670
6-[3-(3-methoxyphenyl)propylamino]pyridine-2-carboxylic acid
CID 122053549
6-[(2-phenoxyethylamino)methyl]pyridine-2-carboxylic acid
CID 106904547
6-(hex-5-ynylamino)pyridine-2-carboxylic acid
CID 106213743
6-(3-cyanopropylamino)pyridine-2-carboxylic acid
CID 122050966
6-(5,5,5-trifluoropentylamino)pyridine-2-carboxylic acid
CID 115520118
6-(4-hydroxyhexylamino)pyridine-2-carboxylic acid
CID 122053976
N-(3-phenoxypropyl)quinolin-2-amine
CID 60678079
6-[2-(1-methylcyclopropyl)ethylamino]pyridine-2-carboxylic acid
CID 122057061
6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carboxylic acid
CID 106247946
6-[[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 62239044

Frequently Asked Questions

What is the IUPAC name of 6-(3-phenoxypropylamino)pyridine-2-carboxylic acid?
The IUPAC name of 6-(3-phenoxypropylamino)pyridine-2-carboxylic acid (CID 62380614) is 6-(3-phenoxypropylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(3-phenoxypropylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(3-phenoxypropylamino)pyridine-2-carboxylic acid is O=C(O)c1cccc(NCCCOc2ccccc2)n1.
What is the InChIKey of 6-(3-phenoxypropylamino)pyridine-2-carboxylic acid?
The InChIKey is ANPDXIFWXLREAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-15(19)13-8-4-9-14(17-13)16-10-5-11-20-12-6-2-1-3-7-12/h1-4,6-9H,5,10-11H2,(H,16,17)(H,18,19).
What are the key properties of 6-(3-phenoxypropylamino)pyridine-2-carboxylic acid?
6-(3-phenoxypropylamino)pyridine-2-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-phenoxypropylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 62380614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).