3-(5-cyano-6-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanamide

C9H9N3O4 — CID 171868161

IUPAC3-(5-cyano-6-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanamide
SMILESN#Cc1cc(C(O)C(O)C(N)=O)c[nH]c1=O
InChIInChI=1S/C9H9N3O4/c10-2-4-1-5(3-12-9(4)16)6(13)7(14)8(11)15/h1,3,6-7,13-14H,(H2,11,15)(H,12,16)
InChIKeyUOSDNQGYJVSOBS-UHFFFAOYSA-N
MW223.19 g/mol
LogP-1.87
Rot. Bonds3

About 3-(5-cyano-6-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanamide

3-(5-cyano-6-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanamide (PubChem CID 171868161) has the molecular formula C9H9N3O4 and a molecular weight of 223.19 g/mol. Its IUPAC name is 3-(5-cyano-6-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-(5-cyano-6-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanamide
PubChem CID171868161
Molecular FormulaC9H9N3O4
Molecular Weight223.19 g/mol
Exact Mass223.06
IUPAC Name3-(5-cyano-6-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanamide
SMILESN#Cc1cc(C(O)C(O)C(N)=O)c[nH]c1=O
InChIInChI=1S/C9H9N3O4/c10-2-4-1-5(3-12-9(4)16)6(13)7(14)8(11)15/h1,3,6-7,13-14H,(H2,11,15)(H,12,16)
InChIKeyUOSDNQGYJVSOBS-UHFFFAOYSA-N
XLogP-1.87
TPSA140.20 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 5-1.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydroxy-3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)propanamide
CID 171867927
4-(5-cyano-6-oxo-1H-pyridin-3-yl)-3,4-dihydroxybutanoic acid
CID 171877672
N-[4-(5-cyano-6-oxo-1H-pyridin-3-yl)-3,4-dihydroxybutyl]acetamide
CID 171883046
3-(5-bromo-2-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanamide
CID 171869274
5-iodo-2-oxo-1H-pyridine-3-carbonitrile
CID 45480261
(5-cyano-6-oxo-1H-pyridin-3-yl)boronic acid
CID 91882730
methyl 2,3-dihydroxy-3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)propanoate
CID 171863827
2,3-dihydroxy-3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)propanenitrile
CID 171869993
5-(2-chlorobutanoyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 88708858
2,3-dihydroxy-3-[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanoic acid
CID 170824651
N-[4-(5-cyano-6-oxo-1H-pyridin-3-yl)but-3-enyl]acetamide
CID 170488645
2,3-dihydroxy-3-(4-nitrophenyl)propanamide
CID 171868264

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyano-6-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanamide?
The IUPAC name of 3-(5-cyano-6-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanamide (CID 171868161) is 3-(5-cyano-6-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-(5-cyano-6-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanamide?
The canonical SMILES for 3-(5-cyano-6-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanamide is N#Cc1cc(C(O)C(O)C(N)=O)c[nH]c1=O.
What is the InChIKey of 3-(5-cyano-6-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanamide?
The InChIKey is UOSDNQGYJVSOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O4/c10-2-4-1-5(3-12-9(4)16)6(13)7(14)8(11)15/h1,3,6-7,13-14H,(H2,11,15)(H,12,16).
What are the key properties of 3-(5-cyano-6-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanamide?
3-(5-cyano-6-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanamide has a molecular weight of 223.19 g/mol, XLogP of -1.87, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyano-6-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanamide is sourced from PubChem (CID 171868161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).