5-amino-6-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid

C8H10N4O3 — CID 114404952

IUPAC5-amino-6-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid
SMILESNC(=O)CNc1nc(C(=O)O)ccc1N
InChIInChI=1S/C8H10N4O3/c9-4-1-2-5(8(14)15)12-7(4)11-3-6(10)13/h1-2H,3,9H2,(H2,10,13)(H,11,12)(H,14,15)
InChIKeyBASXBMCHTCHVKX-UHFFFAOYSA-N
MW210.19 g/mol
LogP-0.74
Rot. Bonds4

About 5-amino-6-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid

5-amino-6-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid (PubChem CID 114404952) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is 5-amino-6-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid
PubChem CID114404952
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC Name5-amino-6-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid
SMILESNC(=O)CNc1nc(C(=O)O)ccc1N
InChIInChI=1S/C8H10N4O3/c9-4-1-2-5(8(14)15)12-7(4)11-3-6(10)13/h1-2H,3,9H2,(H2,10,13)(H,11,12)(H,14,15)
InChIKeyBASXBMCHTCHVKX-UHFFFAOYSA-N
XLogP-0.74
TPSA131.33 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-[(2-oxo-2-piperidin-1-ylethyl)amino]pyridine-2-carboxylic acid
CID 114407658
5-amino-6-(2-methylbutan-2-ylamino)pyridine-2-carboxylic acid
CID 114404928
5-amino-6-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid
CID 114406222
5-amino-6-(cyclohexylmethylamino)pyridine-2-carboxylic acid
CID 114405447
5-amino-6-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid
CID 114406408
5-amino-6-(3-methylsulfinylpropylamino)pyridine-2-carboxylic acid
CID 114407985
5-amino-6-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid
CID 114404985
5-amino-6-(3-ethylpentan-3-ylamino)pyridine-2-carboxylic acid
CID 114406825
5-amino-6-(7-methyloctylamino)pyridine-2-carboxylic acid
CID 107817789
5-amino-6-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carboxylic acid
CID 114139636
5-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid
CID 104638701
2-[(3-amino-2-pyridinyl)amino]acetamide
CID 14390487

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid (CID 114404952) is 5-amino-6-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid is NC(=O)CNc1nc(C(=O)O)ccc1N.
What is the InChIKey of 5-amino-6-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid?
The InChIKey is BASXBMCHTCHVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3/c9-4-1-2-5(8(14)15)12-7(4)11-3-6(10)13/h1-2H,3,9H2,(H2,10,13)(H,11,12)(H,14,15).
What are the key properties of 5-amino-6-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid?
5-amino-6-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid has a molecular weight of 210.19 g/mol, XLogP of -0.74, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 114404952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).