3,4-dihydroxy-4-(6-oxo-1H-pyridin-3-yl)butanamide

C9H12N2O4 — CID 171900236

IUPAC3,4-dihydroxy-4-(6-oxo-1H-pyridin-3-yl)butanamide
SMILESNC(=O)CC(O)C(O)c1ccc(=O)[nH]c1
InChIInChI=1S/C9H12N2O4/c10-7(13)3-6(12)9(15)5-1-2-8(14)11-4-5/h1-2,4,6,9,12,15H,3H2,(H2,10,13)(H,11,14)
InChIKeyHPNAMPLXGOOSBI-UHFFFAOYSA-N
MW212.20 g/mol
LogP-1.36
Rot. Bonds4

About 3,4-dihydroxy-4-(6-oxo-1H-pyridin-3-yl)butanamide

3,4-dihydroxy-4-(6-oxo-1H-pyridin-3-yl)butanamide (PubChem CID 171900236) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 3,4-dihydroxy-4-(6-oxo-1H-pyridin-3-yl)butanamide.

Molecular Properties

Compound Name3,4-dihydroxy-4-(6-oxo-1H-pyridin-3-yl)butanamide
PubChem CID171900236
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name3,4-dihydroxy-4-(6-oxo-1H-pyridin-3-yl)butanamide
SMILESNC(=O)CC(O)C(O)c1ccc(=O)[nH]c1
InChIInChI=1S/C9H12N2O4/c10-7(13)3-6(12)9(15)5-1-2-8(14)11-4-5/h1-2,4,6,9,12,15H,3H2,(H2,10,13)(H,11,14)
InChIKeyHPNAMPLXGOOSBI-UHFFFAOYSA-N
XLogP-1.36
TPSA116.41 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-1.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one
CID 170818894
5-(4-bromo-1,2-dihydroxybutyl)-1H-pyridin-2-one
CID 171893071
2-(6-oxo-1H-pyridin-3-yl)propanediamide
CID 173126587
4-(4-bromophenyl)-3,4-dihydroxybutanamide
CID 171900225
3,4-dihydroxy-4-phenylbutanamide
CID 171898569
4-[4-(bromomethyl)phenyl]-3,4-dihydroxybutanamide
CID 171900239
4-(4-amino-1,2-dihydroxy-4-oxobutyl)benzoic acid
CID 171899034
5-[(1S,2S)-2-amino-1-hydroxy-3-methylbutyl]-1H-pyridin-2-one
CID 131145454
5-[(1R,2R)-2-amino-1-hydroxy-3-methylbutyl]-1H-pyridin-2-one
CID 131115674
4-[4-(chloromethyl)phenyl]-3,4-dihydroxybutanamide
CID 171898697
4-[4-(carbamoylamino)phenyl]-3,4-dihydroxybutanamide
CID 171899571
2,3-dihydroxy-3-(6-oxo-1H-pyridin-3-yl)propanenitrile
CID 171871292

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-4-(6-oxo-1H-pyridin-3-yl)butanamide?
The IUPAC name of 3,4-dihydroxy-4-(6-oxo-1H-pyridin-3-yl)butanamide (CID 171900236) is 3,4-dihydroxy-4-(6-oxo-1H-pyridin-3-yl)butanamide.
What is the SMILES notation for 3,4-dihydroxy-4-(6-oxo-1H-pyridin-3-yl)butanamide?
The canonical SMILES for 3,4-dihydroxy-4-(6-oxo-1H-pyridin-3-yl)butanamide is NC(=O)CC(O)C(O)c1ccc(=O)[nH]c1.
What is the InChIKey of 3,4-dihydroxy-4-(6-oxo-1H-pyridin-3-yl)butanamide?
The InChIKey is HPNAMPLXGOOSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c10-7(13)3-6(12)9(15)5-1-2-8(14)11-4-5/h1-2,4,6,9,12,15H,3H2,(H2,10,13)(H,11,14).
What are the key properties of 3,4-dihydroxy-4-(6-oxo-1H-pyridin-3-yl)butanamide?
3,4-dihydroxy-4-(6-oxo-1H-pyridin-3-yl)butanamide has a molecular weight of 212.20 g/mol, XLogP of -1.36, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-4-(6-oxo-1H-pyridin-3-yl)butanamide is sourced from PubChem (CID 171900236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).