N-[3,4-dihydroxy-4-(4-oxo-1H-pyridin-3-yl)butyl]acetamide

C11H16N2O4 — CID 171882557

IUPACN-[3,4-dihydroxy-4-(4-oxo-1H-pyridin-3-yl)butyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1c[nH]ccc1=O
InChIInChI=1S/C11H16N2O4/c1-7(14)13-5-3-10(16)11(17)8-6-12-4-2-9(8)15/h2,4,6,10-11,16-17H,3,5H2,1H3,(H,12,15)(H,13,14)
InChIKeyWSMIRMVLYUUSKR-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.70
Rot. Bonds5

About N-[3,4-dihydroxy-4-(4-oxo-1H-pyridin-3-yl)butyl]acetamide

N-[3,4-dihydroxy-4-(4-oxo-1H-pyridin-3-yl)butyl]acetamide (PubChem CID 171882557) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-[3,4-dihydroxy-4-(4-oxo-1H-pyridin-3-yl)butyl]acetamide.

Molecular Properties

Compound NameN-[3,4-dihydroxy-4-(4-oxo-1H-pyridin-3-yl)butyl]acetamide
PubChem CID171882557
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC NameN-[3,4-dihydroxy-4-(4-oxo-1H-pyridin-3-yl)butyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1c[nH]ccc1=O
InChIInChI=1S/C11H16N2O4/c1-7(14)13-5-3-10(16)11(17)8-6-12-4-2-9(8)15/h2,4,6,10-11,16-17H,3,5H2,1H3,(H,12,15)(H,13,14)
InChIKeyWSMIRMVLYUUSKR-UHFFFAOYSA-N
XLogP-0.70
TPSA102.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydroxy-4-(4-oxo-1H-pyridin-3-yl)butyl]acetamide?
The IUPAC name of N-[3,4-dihydroxy-4-(4-oxo-1H-pyridin-3-yl)butyl]acetamide (CID 171882557) is N-[3,4-dihydroxy-4-(4-oxo-1H-pyridin-3-yl)butyl]acetamide.
What is the SMILES notation for N-[3,4-dihydroxy-4-(4-oxo-1H-pyridin-3-yl)butyl]acetamide?
The canonical SMILES for N-[3,4-dihydroxy-4-(4-oxo-1H-pyridin-3-yl)butyl]acetamide is CC(=O)NCCC(O)C(O)c1c[nH]ccc1=O.
What is the InChIKey of N-[3,4-dihydroxy-4-(4-oxo-1H-pyridin-3-yl)butyl]acetamide?
The InChIKey is WSMIRMVLYUUSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-7(14)13-5-3-10(16)11(17)8-6-12-4-2-9(8)15/h2,4,6,10-11,16-17H,3,5H2,1H3,(H,12,15)(H,13,14).
What are the key properties of N-[3,4-dihydroxy-4-(4-oxo-1H-pyridin-3-yl)butyl]acetamide?
N-[3,4-dihydroxy-4-(4-oxo-1H-pyridin-3-yl)butyl]acetamide has a molecular weight of 240.26 g/mol, XLogP of -0.70, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydroxy-4-(4-oxo-1H-pyridin-3-yl)butyl]acetamide is sourced from PubChem (CID 171882557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).