3,4-dihydroxy-4-[6-(hydroxymethyl)-2-pyridinyl]butanamide

C10H14N2O4 — CID 171898958

IUPAC3,4-dihydroxy-4-[6-(hydroxymethyl)-2-pyridinyl]butanamide
SMILESNC(=O)CC(O)C(O)c1cccc(CO)n1
InChIInChI=1S/C10H14N2O4/c11-9(15)4-8(14)10(16)7-3-1-2-6(5-13)12-7/h1-3,8,10,13-14,16H,4-5H2,(H2,11,15)
InChIKeyJEHXTMFMIXDYCT-UHFFFAOYSA-N
MW226.23 g/mol
LogP-1.16
Rot. Bonds5

About 3,4-dihydroxy-4-[6-(hydroxymethyl)-2-pyridinyl]butanamide

3,4-dihydroxy-4-[6-(hydroxymethyl)-2-pyridinyl]butanamide (PubChem CID 171898958) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 3,4-dihydroxy-4-[6-(hydroxymethyl)-2-pyridinyl]butanamide.

Molecular Properties

Compound Name3,4-dihydroxy-4-[6-(hydroxymethyl)-2-pyridinyl]butanamide
PubChem CID171898958
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name3,4-dihydroxy-4-[6-(hydroxymethyl)-2-pyridinyl]butanamide
SMILESNC(=O)CC(O)C(O)c1cccc(CO)n1
InChIInChI=1S/C10H14N2O4/c11-9(15)4-8(14)10(16)7-3-1-2-6(5-13)12-7/h1-3,8,10,13-14,16H,4-5H2,(H2,11,15)
InChIKeyJEHXTMFMIXDYCT-UHFFFAOYSA-N
XLogP-1.16
TPSA116.67 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-1.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[2,3-dihydroxy-3-[6-(hydroxymethyl)-2-pyridinyl]propyl]carbamate
CID 171855706
[6-(1,2-diaminoethyl)-2-pyridinyl]methanol
CID 55291801
3,4-dihydroxy-4-naphthalen-1-ylbutanamide
CID 171899361
3,4-dihydroxy-4-phenylbutanamide
CID 171898569
(3S)-3-amino-3-[6-(hydroxymethyl)-2-pyridinyl]propan-1-ol
CID 55292733
4-(3-aminophenyl)-3,4-dihydroxybutanamide
CID 171898668
6-(3-bromo-1,2-dihydroxypropyl)pyridine-2-carboxamide
CID 171859983
3,4-dihydroxy-4-(6-methylpyrazin-2-yl)butanamide
CID 171898628
[6-[bis(trimethyl-λ4-sulfanyl)methyl]-2-pyridinyl]methanol
CID 89375470
3-[6-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide
CID 69122207
4-(2,3-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171898729
4-(3-fluoro-6-methyl-2-pyridinyl)-3,4-dihydroxybutanamide
CID 171898885

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-4-[6-(hydroxymethyl)-2-pyridinyl]butanamide?
The IUPAC name of 3,4-dihydroxy-4-[6-(hydroxymethyl)-2-pyridinyl]butanamide (CID 171898958) is 3,4-dihydroxy-4-[6-(hydroxymethyl)-2-pyridinyl]butanamide.
What is the SMILES notation for 3,4-dihydroxy-4-[6-(hydroxymethyl)-2-pyridinyl]butanamide?
The canonical SMILES for 3,4-dihydroxy-4-[6-(hydroxymethyl)-2-pyridinyl]butanamide is NC(=O)CC(O)C(O)c1cccc(CO)n1.
What is the InChIKey of 3,4-dihydroxy-4-[6-(hydroxymethyl)-2-pyridinyl]butanamide?
The InChIKey is JEHXTMFMIXDYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c11-9(15)4-8(14)10(16)7-3-1-2-6(5-13)12-7/h1-3,8,10,13-14,16H,4-5H2,(H2,11,15).
What are the key properties of 3,4-dihydroxy-4-[6-(hydroxymethyl)-2-pyridinyl]butanamide?
3,4-dihydroxy-4-[6-(hydroxymethyl)-2-pyridinyl]butanamide has a molecular weight of 226.23 g/mol, XLogP of -1.16, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-4-[6-(hydroxymethyl)-2-pyridinyl]butanamide is sourced from PubChem (CID 171898958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).