4-(5-acetyl-3-pyridinyl)-3,4-dihydroxybutanamide

C11H14N2O4 — CID 171899288

IUPAC4-(5-acetyl-3-pyridinyl)-3,4-dihydroxybutanamide
SMILESCC(=O)c1cncc(C(O)C(O)CC(N)=O)c1
InChIInChI=1S/C11H14N2O4/c1-6(14)7-2-8(5-13-4-7)11(17)9(15)3-10(12)16/h2,4-5,9,11,15,17H,3H2,1H3,(H2,12,16)
InChIKeyJCNQUJZHADUUFX-UHFFFAOYSA-N
MW238.24 g/mol
LogP-0.45
Rot. Bonds5

About 4-(5-acetyl-3-pyridinyl)-3,4-dihydroxybutanamide

4-(5-acetyl-3-pyridinyl)-3,4-dihydroxybutanamide (PubChem CID 171899288) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 4-(5-acetyl-3-pyridinyl)-3,4-dihydroxybutanamide.

Molecular Properties

Compound Name4-(5-acetyl-3-pyridinyl)-3,4-dihydroxybutanamide
PubChem CID171899288
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name4-(5-acetyl-3-pyridinyl)-3,4-dihydroxybutanamide
SMILESCC(=O)c1cncc(C(O)C(O)CC(N)=O)c1
InChIInChI=1S/C11H14N2O4/c1-6(14)7-2-8(5-13-4-7)11(17)9(15)3-10(12)16/h2,4-5,9,11,15,17H,3H2,1H3,(H2,12,16)
InChIKeyJCNQUJZHADUUFX-UHFFFAOYSA-N
XLogP-0.45
TPSA113.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(5-acetyl-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171897496
1-[5-(1,2-dihydroxy-3-sulfanylpropyl)-3-pyridinyl]ethanone
CID 170819990
S-[3-(5-acetyl-3-pyridinyl)-2,3-dihydroxypropyl] ethanethioate
CID 170822048
5-(3-chloro-1,2-dihydroxypropyl)pyridine-3-carboxamide
CID 171862032
1-[5-(4-azido-1,2-dihydroxybutyl)-3-pyridinyl]ethanone
CID 171879579
5-(1,2,3-trihydroxypropyl)pyridine-3-carboxylic acid
CID 170817946
3,4-dihydroxy-4-[2-(methylamino)pyrimidin-5-yl]butanamide
CID 171898981
5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbohydrazide
CID 171901473
5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carboxylic acid
CID 171901054
ethyl 3,4-dihydroxy-4-(5-methyl-3-pyridinyl)butanoate
CID 171896867
4-(4-amino-3,5-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171899224
methyl 5-(3-acetamido-1,2-dihydroxypropyl)pyridine-3-carboxylate
CID 170830510

Frequently Asked Questions

What is the IUPAC name of 4-(5-acetyl-3-pyridinyl)-3,4-dihydroxybutanamide?
The IUPAC name of 4-(5-acetyl-3-pyridinyl)-3,4-dihydroxybutanamide (CID 171899288) is 4-(5-acetyl-3-pyridinyl)-3,4-dihydroxybutanamide.
What is the SMILES notation for 4-(5-acetyl-3-pyridinyl)-3,4-dihydroxybutanamide?
The canonical SMILES for 4-(5-acetyl-3-pyridinyl)-3,4-dihydroxybutanamide is CC(=O)c1cncc(C(O)C(O)CC(N)=O)c1.
What is the InChIKey of 4-(5-acetyl-3-pyridinyl)-3,4-dihydroxybutanamide?
The InChIKey is JCNQUJZHADUUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-6(14)7-2-8(5-13-4-7)11(17)9(15)3-10(12)16/h2,4-5,9,11,15,17H,3H2,1H3,(H2,12,16).
What are the key properties of 4-(5-acetyl-3-pyridinyl)-3,4-dihydroxybutanamide?
4-(5-acetyl-3-pyridinyl)-3,4-dihydroxybutanamide has a molecular weight of 238.24 g/mol, XLogP of -0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-acetyl-3-pyridinyl)-3,4-dihydroxybutanamide is sourced from PubChem (CID 171899288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).