2,3-dihydroxy-3-(4-oxo-1H-pyridin-3-yl)propanamide

C8H10N2O4 — CID 171867672

IUPAC2,3-dihydroxy-3-(4-oxo-1H-pyridin-3-yl)propanamide
SMILESNC(=O)C(O)C(O)c1c[nH]ccc1=O
InChIInChI=1S/C8H10N2O4/c9-8(14)7(13)6(12)4-3-10-2-1-5(4)11/h1-3,6-7,12-13H,(H2,9,14)(H,10,11)
InChIKeyQBKRTZKKBDFROP-UHFFFAOYSA-N
MW198.18 g/mol
LogP-1.75
Rot. Bonds3

About 2,3-dihydroxy-3-(4-oxo-1H-pyridin-3-yl)propanamide

2,3-dihydroxy-3-(4-oxo-1H-pyridin-3-yl)propanamide (PubChem CID 171867672) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2,3-dihydroxy-3-(4-oxo-1H-pyridin-3-yl)propanamide.

Molecular Properties

Compound Name2,3-dihydroxy-3-(4-oxo-1H-pyridin-3-yl)propanamide
PubChem CID171867672
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name2,3-dihydroxy-3-(4-oxo-1H-pyridin-3-yl)propanamide
SMILESNC(=O)C(O)C(O)c1c[nH]ccc1=O
InChIInChI=1S/C8H10N2O4/c9-8(14)7(13)6(12)4-3-10-2-1-5(4)11/h1-3,6-7,12-13H,(H2,9,14)(H,10,11)
InChIKeyQBKRTZKKBDFROP-UHFFFAOYSA-N
XLogP-1.75
TPSA116.41 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-1.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-3-(4-oxo-1H-pyridin-3-yl)propanamide?
The IUPAC name of 2,3-dihydroxy-3-(4-oxo-1H-pyridin-3-yl)propanamide (CID 171867672) is 2,3-dihydroxy-3-(4-oxo-1H-pyridin-3-yl)propanamide.
What is the SMILES notation for 2,3-dihydroxy-3-(4-oxo-1H-pyridin-3-yl)propanamide?
The canonical SMILES for 2,3-dihydroxy-3-(4-oxo-1H-pyridin-3-yl)propanamide is NC(=O)C(O)C(O)c1c[nH]ccc1=O.
What is the InChIKey of 2,3-dihydroxy-3-(4-oxo-1H-pyridin-3-yl)propanamide?
The InChIKey is QBKRTZKKBDFROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c9-8(14)7(13)6(12)4-3-10-2-1-5(4)11/h1-3,6-7,12-13H,(H2,9,14)(H,10,11).
What are the key properties of 2,3-dihydroxy-3-(4-oxo-1H-pyridin-3-yl)propanamide?
2,3-dihydroxy-3-(4-oxo-1H-pyridin-3-yl)propanamide has a molecular weight of 198.18 g/mol, XLogP of -1.75, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-3-(4-oxo-1H-pyridin-3-yl)propanamide is sourced from PubChem (CID 171867672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).