5-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid

C8H9N3O3 — CID 104638701

IUPAC5-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid
SMILESNC(=O)CNc1ccc(C(=O)O)nc1
InChIInChI=1S/C8H9N3O3/c9-7(12)4-10-5-1-2-6(8(13)14)11-3-5/h1-3,10H,4H2,(H2,9,12)(H,13,14)
InChIKeyYYFLVDOITWIPKD-UHFFFAOYSA-N
MW195.18 g/mol
LogP-0.32
Rot. Bonds4

About 5-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid

5-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid (PubChem CID 104638701) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is 5-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid
PubChem CID104638701
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Name5-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid
SMILESNC(=O)CNc1ccc(C(=O)O)nc1
InChIInChI=1S/C8H9N3O3/c9-7(12)4-10-5-1-2-6(8(13)14)11-3-5/h1-3,10H,4H2,(H2,9,12)(H,13,14)
InChIKeyYYFLVDOITWIPKD-UHFFFAOYSA-N
XLogP-0.32
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-carbamoyloxyethylamino)pyridine-2-carboxylic acid
CID 104638978
5-(3-hydroxypropylamino)pyridine-2-carboxylic acid
CID 115490634
5-acetamidopyridine-2-carboxylic acid
CID 5278292
5-(sulfamoylamino)pyridine-2-carboxylic acid
CID 114958996
2-[(6-nitro-3-pyridinyl)amino]acetamide
CID 62544384
5-(pyridin-4-ylmethylamino)pyridine-2-carboxylic acid
CID 12640186
5-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid
CID 115490708
5-[2-(dimethylamino)propylamino]pyridine-2-carboxylic acid
CID 115490686
5-(2-methylsulfonylethylamino)pyridine-2-carboxylic acid
CID 115490610
5-(2,2-dimethylhydrazinyl)pyridine-2-carboxylic acid
CID 83024404
5-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 104638856
5-[2-(3,5-difluorophenyl)ethylamino]pyridine-2-carboxylic acid
CID 115490672

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid (CID 104638701) is 5-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid is NC(=O)CNc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid?
The InChIKey is YYFLVDOITWIPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c9-7(12)4-10-5-1-2-6(8(13)14)11-3-5/h1-3,10H,4H2,(H2,9,12)(H,13,14).
What are the key properties of 5-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid?
5-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid has a molecular weight of 195.18 g/mol, XLogP of -0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 104638701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).