N-[2,3-dihydroxy-3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)propyl]acetamide

C10H14N2O5 — CID 170829821

IUPACN-[2,3-dihydroxy-3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)propyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1c[nH]c(=O)c(O)c1
InChIInChI=1S/C10H14N2O5/c1-5(13)11-4-8(15)9(16)6-2-7(14)10(17)12-3-6/h2-3,8-9,14-16H,4H2,1H3,(H,11,13)(H,12,17)
InChIKeyWEVFEHYLVWDIBK-UHFFFAOYSA-N
MW242.23 g/mol
LogP-1.39
Rot. Bonds4

About N-[2,3-dihydroxy-3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)propyl]acetamide

N-[2,3-dihydroxy-3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)propyl]acetamide (PubChem CID 170829821) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is N-[2,3-dihydroxy-3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)propyl]acetamide.

Molecular Properties

Compound NameN-[2,3-dihydroxy-3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)propyl]acetamide
PubChem CID170829821
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC NameN-[2,3-dihydroxy-3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)propyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1c[nH]c(=O)c(O)c1
InChIInChI=1S/C10H14N2O5/c1-5(13)11-4-8(15)9(16)6-2-7(14)10(17)12-3-6/h2-3,8-9,14-16H,4H2,1H3,(H,11,13)(H,12,17)
InChIKeyWEVFEHYLVWDIBK-UHFFFAOYSA-N
XLogP-1.39
TPSA122.65 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-1.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydroxy-3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)propyl]acetamide?
The IUPAC name of N-[2,3-dihydroxy-3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)propyl]acetamide (CID 170829821) is N-[2,3-dihydroxy-3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)propyl]acetamide.
What is the SMILES notation for N-[2,3-dihydroxy-3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)propyl]acetamide?
The canonical SMILES for N-[2,3-dihydroxy-3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)propyl]acetamide is CC(=O)NCC(O)C(O)c1c[nH]c(=O)c(O)c1.
What is the InChIKey of N-[2,3-dihydroxy-3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)propyl]acetamide?
The InChIKey is WEVFEHYLVWDIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5/c1-5(13)11-4-8(15)9(16)6-2-7(14)10(17)12-3-6/h2-3,8-9,14-16H,4H2,1H3,(H,11,13)(H,12,17).
What are the key properties of N-[2,3-dihydroxy-3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)propyl]acetamide?
N-[2,3-dihydroxy-3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)propyl]acetamide has a molecular weight of 242.23 g/mol, XLogP of -1.39, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydroxy-3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)propyl]acetamide is sourced from PubChem (CID 170829821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).