2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid

C9H11N3O3 — CID 164751259

IUPAC2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid
SMILESCCc1cc(NC(=O)C(=O)O)cnc1N
InChIInChI=1S/C9H11N3O3/c1-2-5-3-6(4-11-7(5)10)12-8(13)9(14)15/h3-4H,2H2,1H3,(H2,10,11)(H,12,13)(H,14,15)
InChIKeyXNPXLNHWRYHTTR-UHFFFAOYSA-N
MW209.21 g/mol
LogP0.25
Rot. Bonds2

About 2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid

2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid (PubChem CID 164751259) has the molecular formula C9H11N3O3 and a molecular weight of 209.21 g/mol. Its IUPAC name is 2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid
PubChem CID164751259
Molecular FormulaC9H11N3O3
Molecular Weight209.21 g/mol
Exact Mass209.08
IUPAC Name2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid
SMILESCCc1cc(NC(=O)C(=O)O)cnc1N
InChIInChI=1S/C9H11N3O3/c1-2-5-3-6(4-11-7(5)10)12-8(13)9(14)15/h3-4H,2H2,1H3,(H2,10,11)(H,12,13)(H,14,15)
InChIKeyXNPXLNHWRYHTTR-UHFFFAOYSA-N
XLogP0.25
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[[5-ethyl-6-(methylideneamino)-3-pyridinyl]amino]-2-oxoacetic acid
CID 170082755
3-ethyl-5-N-[(Z)-pent-2-en-2-yl]pyridine-2,5-diamine
CID 169112998
2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid
CID 164750475
2-[(2S,5R)-2-(4-acetamidophenyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide
CID 166022591
N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-[4-(methylamino)phenyl]piperidin-1-yl]-2-oxoacetamide
CID 175637938
N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5S)-2-(6-amino-3-pyridinyl)-2,5-dimethylpiperidin-1-yl]-2-oxoacetamide
CID 175637165
3-ethyl-5-fluoropyridin-2-amine
CID 55284816
2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid;bis(N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide);N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide;5-[(2S,5R)-5-methylpiperidin-2-yl]-1,3-benzothiazole
CID 164970750
2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-2-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide;1-[2-chloro-4-(5-methylpiperidin-2-yl)phenyl]-4-methylpiperazine
CID 164956812
N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S)-2-[6-(methanesulfonamido)-3-pyridinyl]piperidin-1-yl]-2-oxoacetamide
CID 167033183
N'-(6-amino-5-ethyl-3-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide;2-methoxyethylcyclopropane
CID 169111952
5-[[(5S)-1-[2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetyl]-5-methylpiperidin-2-yl]methyl]thiophene-2-carboxamide
CID 175634466

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid?
The IUPAC name of 2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid (CID 164751259) is 2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid?
The canonical SMILES for 2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid is CCc1cc(NC(=O)C(=O)O)cnc1N.
What is the InChIKey of 2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid?
The InChIKey is XNPXLNHWRYHTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-2-5-3-6(4-11-7(5)10)12-8(13)9(14)15/h3-4H,2H2,1H3,(H2,10,11)(H,12,13)(H,14,15).
What are the key properties of 2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid?
2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid has a molecular weight of 209.21 g/mol, XLogP of 0.25, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid is sourced from PubChem (CID 164751259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).