5-amino-6-(1-methylpiperidin-4-yl)oxypyridine-2-carboxylic acid

C12H17N3O3 — CID 114408869

IUPAC5-amino-6-(1-methylpiperidin-4-yl)oxypyridine-2-carboxylic acid
SMILESCN1CCC(Oc2nc(C(=O)O)ccc2N)CC1
InChIInChI=1S/C12H17N3O3/c1-15-6-4-8(5-7-15)18-11-9(13)2-3-10(14-11)12(16)17/h2-3,8H,4-7,13H2,1H3,(H,16,17)
InChIKeyGRMSRTKGKXVFMX-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.83
Rot. Bonds3

About 5-amino-6-(1-methylpiperidin-4-yl)oxypyridine-2-carboxylic acid

5-amino-6-(1-methylpiperidin-4-yl)oxypyridine-2-carboxylic acid (PubChem CID 114408869) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-amino-6-(1-methylpiperidin-4-yl)oxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(1-methylpiperidin-4-yl)oxypyridine-2-carboxylic acid
PubChem CID114408869
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name5-amino-6-(1-methylpiperidin-4-yl)oxypyridine-2-carboxylic acid
SMILESCN1CCC(Oc2nc(C(=O)O)ccc2N)CC1
InChIInChI=1S/C12H17N3O3/c1-15-6-4-8(5-7-15)18-11-9(13)2-3-10(14-11)12(16)17/h2-3,8H,4-7,13H2,1H3,(H,16,17)
InChIKeyGRMSRTKGKXVFMX-UHFFFAOYSA-N
XLogP0.83
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(1-methylpiperidin-4-yl)oxypyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-(1-methylpiperidin-4-yl)oxypyridine-2-carboxylic acid (CID 114408869) is 5-amino-6-(1-methylpiperidin-4-yl)oxypyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-(1-methylpiperidin-4-yl)oxypyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-(1-methylpiperidin-4-yl)oxypyridine-2-carboxylic acid is CN1CCC(Oc2nc(C(=O)O)ccc2N)CC1.
What is the InChIKey of 5-amino-6-(1-methylpiperidin-4-yl)oxypyridine-2-carboxylic acid?
The InChIKey is GRMSRTKGKXVFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-15-6-4-8(5-7-15)18-11-9(13)2-3-10(14-11)12(16)17/h2-3,8H,4-7,13H2,1H3,(H,16,17).
What are the key properties of 5-amino-6-(1-methylpiperidin-4-yl)oxypyridine-2-carboxylic acid?
5-amino-6-(1-methylpiperidin-4-yl)oxypyridine-2-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(1-methylpiperidin-4-yl)oxypyridine-2-carboxylic acid is sourced from PubChem (CID 114408869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).