5-amino-6-[3-(dimethylamino)phenoxy]pyridine-3-carboxylic acid

C14H15N3O3 — CID 81439249

IUPAC5-amino-6-[3-(dimethylamino)phenoxy]pyridine-3-carboxylic acid
SMILESCN(C)c1cccc(Oc2ncc(C(=O)O)cc2N)c1
InChIInChI=1S/C14H15N3O3/c1-17(2)10-4-3-5-11(7-10)20-13-12(15)6-9(8-16-13)14(18)19/h3-8H,15H2,1-2H3,(H,18,19)
InChIKeyXXGZEXVYLZZSRT-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.22
Rot. Bonds4

About 5-amino-6-[3-(dimethylamino)phenoxy]pyridine-3-carboxylic acid

5-amino-6-[3-(dimethylamino)phenoxy]pyridine-3-carboxylic acid (PubChem CID 81439249) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 5-amino-6-[3-(dimethylamino)phenoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[3-(dimethylamino)phenoxy]pyridine-3-carboxylic acid
PubChem CID81439249
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name5-amino-6-[3-(dimethylamino)phenoxy]pyridine-3-carboxylic acid
SMILESCN(C)c1cccc(Oc2ncc(C(=O)O)cc2N)c1
InChIInChI=1S/C14H15N3O3/c1-17(2)10-4-3-5-11(7-10)20-13-12(15)6-9(8-16-13)14(18)19/h3-8H,15H2,1-2H3,(H,18,19)
InChIKeyXXGZEXVYLZZSRT-UHFFFAOYSA-N
XLogP2.22
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-(dimethylamino)phenoxy]-5-methylpyridine-3-carboxylic acid
CID 80632781
5-amino-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid
CID 81446828
5-amino-6-[3-(dimethylamino)phenoxy]pyridine-2-carboxylic acid
CID 114408858
5-amino-6-[3-(dimethylamino)phenoxy]pyridine-3-carbonitrile
CID 103469680
5-amino-6-(4-propan-2-ylphenoxy)pyridine-3-carboxylic acid
CID 81438860
5-amino-6-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid
CID 81447419
5-amino-6-(3,5-difluorophenoxy)pyridine-3-carboxylic acid
CID 81438869
5-amino-6-(2-iodophenoxy)pyridine-3-carboxylic acid
CID 81439625
5-amino-6-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid
CID 82716669
5-amino-6-[(2-methyl-3-pyridinyl)oxy]pyridine-3-carboxylic acid
CID 81439910
5-amino-6-[methyl(pyridin-3-yl)amino]pyridine-3-carboxylic acid
CID 81439426
5-amino-6-quinolin-8-yloxypyridine-3-carboxylic acid
CID 81447216

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[3-(dimethylamino)phenoxy]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-[3-(dimethylamino)phenoxy]pyridine-3-carboxylic acid (CID 81439249) is 5-amino-6-[3-(dimethylamino)phenoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-[3-(dimethylamino)phenoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-[3-(dimethylamino)phenoxy]pyridine-3-carboxylic acid is CN(C)c1cccc(Oc2ncc(C(=O)O)cc2N)c1.
What is the InChIKey of 5-amino-6-[3-(dimethylamino)phenoxy]pyridine-3-carboxylic acid?
The InChIKey is XXGZEXVYLZZSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-17(2)10-4-3-5-11(7-10)20-13-12(15)6-9(8-16-13)14(18)19/h3-8H,15H2,1-2H3,(H,18,19).
What are the key properties of 5-amino-6-[3-(dimethylamino)phenoxy]pyridine-3-carboxylic acid?
5-amino-6-[3-(dimethylamino)phenoxy]pyridine-3-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[3-(dimethylamino)phenoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 81439249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).