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

C11H16N2O4 — CID 170829833

IUPACN-[2,3-dihydroxy-3-(2-methyl-6-oxo-1H-pyridin-3-yl)propyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1ccc(=O)[nH]c1C
InChIInChI=1S/C11H16N2O4/c1-6-8(3-4-10(16)13-6)11(17)9(15)5-12-7(2)14/h3-4,9,11,15,17H,5H2,1-2H3,(H,12,14)(H,13,16)
InChIKeyPUTKBLSILRKKFY-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.79
Rot. Bonds4

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

N-[2,3-dihydroxy-3-(2-methyl-6-oxo-1H-pyridin-3-yl)propyl]acetamide (PubChem CID 170829833) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-[2,3-dihydroxy-3-(2-methyl-6-oxo-1H-pyridin-3-yl)propyl]acetamide.

Molecular Properties

Compound NameN-[2,3-dihydroxy-3-(2-methyl-6-oxo-1H-pyridin-3-yl)propyl]acetamide
PubChem CID170829833
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC NameN-[2,3-dihydroxy-3-(2-methyl-6-oxo-1H-pyridin-3-yl)propyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1ccc(=O)[nH]c1C
InChIInChI=1S/C11H16N2O4/c1-6-8(3-4-10(16)13-6)11(17)9(15)5-12-7(2)14/h3-4,9,11,15,17H,5H2,1-2H3,(H,12,14)(H,13,16)
InChIKeyPUTKBLSILRKKFY-UHFFFAOYSA-N
XLogP-0.79
TPSA102.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-bromo-2-methylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170831127
N-[3-(6-amino-2-methyl-3-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170829714
N-[3-(4-amino-2-fluoro-3-methylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830083
N-[2,3-dihydroxy-3-(2-oxo-1H-pyridin-4-yl)propyl]acetamide
CID 170829568
N-[2,3-dihydroxy-3-(2-methylsulfanylphenyl)propyl]acetamide
CID 170829588
2-[2-(3-acetamido-1,2-dihydroxypropyl)phenyl]acetic acid
CID 170830367
N-[2,3-dihydroxy-3-[2-(2-oxopropyl)phenyl]propyl]acetamide
CID 170830402
N-[3-(2-chloro-4-cyanophenyl)-2,3-dihydroxypropyl]acetamide
CID 170830078
N-[2,3-dihydroxy-3-[3-(hydroxymethyl)-2-methylphenyl]propyl]acetamide
CID 170830007
N-[2,3-dihydroxy-3-(2,4,5-trifluorophenyl)propyl]acetamide
CID 170829875
N-[2,3-dihydroxy-3-(2-phenylphenyl)propyl]acetamide
CID 170830860
N-[3-(2,3-difluorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829633

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydroxy-3-(2-methyl-6-oxo-1H-pyridin-3-yl)propyl]acetamide?
The IUPAC name of N-[2,3-dihydroxy-3-(2-methyl-6-oxo-1H-pyridin-3-yl)propyl]acetamide (CID 170829833) is N-[2,3-dihydroxy-3-(2-methyl-6-oxo-1H-pyridin-3-yl)propyl]acetamide.
What is the SMILES notation for N-[2,3-dihydroxy-3-(2-methyl-6-oxo-1H-pyridin-3-yl)propyl]acetamide?
The canonical SMILES for N-[2,3-dihydroxy-3-(2-methyl-6-oxo-1H-pyridin-3-yl)propyl]acetamide is CC(=O)NCC(O)C(O)c1ccc(=O)[nH]c1C.
What is the InChIKey of N-[2,3-dihydroxy-3-(2-methyl-6-oxo-1H-pyridin-3-yl)propyl]acetamide?
The InChIKey is PUTKBLSILRKKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-6-8(3-4-10(16)13-6)11(17)9(15)5-12-7(2)14/h3-4,9,11,15,17H,5H2,1-2H3,(H,12,14)(H,13,16).
What are the key properties of N-[2,3-dihydroxy-3-(2-methyl-6-oxo-1H-pyridin-3-yl)propyl]acetamide?
N-[2,3-dihydroxy-3-(2-methyl-6-oxo-1H-pyridin-3-yl)propyl]acetamide has a molecular weight of 240.26 g/mol, XLogP of -0.79, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydroxy-3-(2-methyl-6-oxo-1H-pyridin-3-yl)propyl]acetamide is sourced from PubChem (CID 170829833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).