3,4-dihydroxy-4-(3-hydroxy-2-pyridinyl)butanamide

C9H12N2O4 — CID 171898678

IUPAC3,4-dihydroxy-4-(3-hydroxy-2-pyridinyl)butanamide
SMILESNC(=O)CC(O)C(O)c1ncccc1O
InChIInChI=1S/C9H12N2O4/c10-7(14)4-6(13)9(15)8-5(12)2-1-3-11-8/h1-3,6,9,12-13,15H,4H2,(H2,10,14)
InChIKeyYELHGDCAXTZJJN-UHFFFAOYSA-N
MW212.21 g/mol
LogP-0.94
Rot. Bonds4

About 3,4-dihydroxy-4-(3-hydroxy-2-pyridinyl)butanamide

3,4-dihydroxy-4-(3-hydroxy-2-pyridinyl)butanamide (PubChem CID 171898678) has the molecular formula C9H12N2O4 and a molecular weight of 212.21 g/mol. Its IUPAC name is 3,4-dihydroxy-4-(3-hydroxy-2-pyridinyl)butanamide.

Molecular Properties

Compound Name3,4-dihydroxy-4-(3-hydroxy-2-pyridinyl)butanamide
PubChem CID171898678
Molecular FormulaC9H12N2O4
Molecular Weight212.21 g/mol
Exact Mass212.08
IUPAC Name3,4-dihydroxy-4-(3-hydroxy-2-pyridinyl)butanamide
SMILESNC(=O)CC(O)C(O)c1ncccc1O
InChIInChI=1S/C9H12N2O4/c10-7(14)4-6(13)9(15)8-5(12)2-1-3-11-8/h1-3,6,9,12-13,15H,4H2,(H2,10,14)
InChIKeyYELHGDCAXTZJJN-UHFFFAOYSA-N
XLogP-0.94
TPSA116.67 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-0.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dihydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]butanamide
CID 171899581
methyl 3,4-dihydroxy-4-(3-hydroxy-2-pyridinyl)butanoate
CID 171895095
4-(3-amino-4-methyl-2-pyridinyl)-3,4-dihydroxybutanamide
CID 171898847
4-bromo-1-(3-hydroxy-2-pyridinyl)butane-1,2-diol
CID 171891513
3,4-dihydroxy-4-phenylbutanamide
CID 171898569
2-[(1S)-1-aminoethyl]pyridin-3-ol
CID 96848333
2,3-dihydroxy-3-(3-hydroxy-2-pyridinyl)propanenitrile
CID 171869735
2-(4-amino-1,2-dihydroxybutyl)pyridine-3-carboxylic acid
CID 171881352
4-(3-fluoro-6-methyl-2-pyridinyl)-3,4-dihydroxybutanamide
CID 171898885
4-(3-aminophenyl)-3,4-dihydroxybutanamide
CID 171898668
2-(1-bromoethyl)pyridin-3-ol
CID 174581885
3,4-dihydroxy-4-(2-hydroxy-4-methylphenyl)butanamide
CID 171898801

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-4-(3-hydroxy-2-pyridinyl)butanamide?
The IUPAC name of 3,4-dihydroxy-4-(3-hydroxy-2-pyridinyl)butanamide (CID 171898678) is 3,4-dihydroxy-4-(3-hydroxy-2-pyridinyl)butanamide.
What is the SMILES notation for 3,4-dihydroxy-4-(3-hydroxy-2-pyridinyl)butanamide?
The canonical SMILES for 3,4-dihydroxy-4-(3-hydroxy-2-pyridinyl)butanamide is NC(=O)CC(O)C(O)c1ncccc1O.
What is the InChIKey of 3,4-dihydroxy-4-(3-hydroxy-2-pyridinyl)butanamide?
The InChIKey is YELHGDCAXTZJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c10-7(14)4-6(13)9(15)8-5(12)2-1-3-11-8/h1-3,6,9,12-13,15H,4H2,(H2,10,14).
What are the key properties of 3,4-dihydroxy-4-(3-hydroxy-2-pyridinyl)butanamide?
3,4-dihydroxy-4-(3-hydroxy-2-pyridinyl)butanamide has a molecular weight of 212.21 g/mol, XLogP of -0.94, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-4-(3-hydroxy-2-pyridinyl)butanamide is sourced from PubChem (CID 171898678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).