3-[2-oxo-2-(pyrimidin-2-ylamino)ethoxy]pyridine-2-carboxylic acid

C12H10N4O4 — CID 61380261

IUPAC3-[2-oxo-2-(pyrimidin-2-ylamino)ethoxy]pyridine-2-carboxylic acid
SMILESO=C(COc1cccnc1C(=O)O)Nc1ncccn1
InChIInChI=1S/C12H10N4O4/c17-9(16-12-14-5-2-6-15-12)7-20-8-3-1-4-13-10(8)11(18)19/h1-6H,7H2,(H,18,19)(H,14,15,16,17)
InChIKeyGOFUZXGRBHXFKN-UHFFFAOYSA-N
MW274.24 g/mol
LogP0.59
Rot. Bonds5

About 3-[2-oxo-2-(pyrimidin-2-ylamino)ethoxy]pyridine-2-carboxylic acid

3-[2-oxo-2-(pyrimidin-2-ylamino)ethoxy]pyridine-2-carboxylic acid (PubChem CID 61380261) has the molecular formula C12H10N4O4 and a molecular weight of 274.24 g/mol. Its IUPAC name is 3-[2-oxo-2-(pyrimidin-2-ylamino)ethoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-oxo-2-(pyrimidin-2-ylamino)ethoxy]pyridine-2-carboxylic acid
PubChem CID61380261
Molecular FormulaC12H10N4O4
Molecular Weight274.24 g/mol
Exact Mass274.07
IUPAC Name3-[2-oxo-2-(pyrimidin-2-ylamino)ethoxy]pyridine-2-carboxylic acid
SMILESO=C(COc1cccnc1C(=O)O)Nc1ncccn1
InChIInChI=1S/C12H10N4O4/c17-9(16-12-14-5-2-6-15-12)7-20-8-3-1-4-13-10(8)11(18)19/h1-6H,7H2,(H,18,19)(H,14,15,16,17)
InChIKeyGOFUZXGRBHXFKN-UHFFFAOYSA-N
XLogP0.59
TPSA114.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(cyanomethylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 61380031
2-(2-aminophenoxy)-N-pyrimidin-2-ylacetamide
CID 24701689
3-[2-(2-methoxyethylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 61380351
3-[2-(ethoxycarbonylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 61380447
3-[2-(3-methoxypropylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 61380362
2-(2,4-dimethylphenoxy)-N-pyrimidin-2-ylacetamide
CID 891327
3-(2-oxo-2-piperidin-1-ylethoxy)pyridine-2-carboxylic acid
CID 61380056
3-[[2-(4-fluorophenoxy)acetyl]amino]pyridine-2-carboxylic acid
CID 104739937
3-(3-aminopropoxy)pyridine-2-carboxylic acid
CID 63654419
3-(4-carboxybutoxy)pyridine-2-carboxylic acid
CID 69472866
3-[(3,5-dimethylphenyl)methoxy]pyridine-2-carboxylic acid
CID 61380273
3-(2-morpholin-4-yl-2-oxoethoxy)pyridine-2-carboxylic acid
CID 61380057

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-(pyrimidin-2-ylamino)ethoxy]pyridine-2-carboxylic acid?
The IUPAC name of 3-[2-oxo-2-(pyrimidin-2-ylamino)ethoxy]pyridine-2-carboxylic acid (CID 61380261) is 3-[2-oxo-2-(pyrimidin-2-ylamino)ethoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[2-oxo-2-(pyrimidin-2-ylamino)ethoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[2-oxo-2-(pyrimidin-2-ylamino)ethoxy]pyridine-2-carboxylic acid is O=C(COc1cccnc1C(=O)O)Nc1ncccn1.
What is the InChIKey of 3-[2-oxo-2-(pyrimidin-2-ylamino)ethoxy]pyridine-2-carboxylic acid?
The InChIKey is GOFUZXGRBHXFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O4/c17-9(16-12-14-5-2-6-15-12)7-20-8-3-1-4-13-10(8)11(18)19/h1-6H,7H2,(H,18,19)(H,14,15,16,17).
What are the key properties of 3-[2-oxo-2-(pyrimidin-2-ylamino)ethoxy]pyridine-2-carboxylic acid?
3-[2-oxo-2-(pyrimidin-2-ylamino)ethoxy]pyridine-2-carboxylic acid has a molecular weight of 274.24 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-(pyrimidin-2-ylamino)ethoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 61380261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).