3-(4-amino-1,2-dihydroxybutyl)-1H-pyridin-4-one

C9H14N2O3 — CID 171880765

IUPAC3-(4-amino-1,2-dihydroxybutyl)-1H-pyridin-4-one
SMILESNCCC(O)C(O)c1c[nH]ccc1=O
InChIInChI=1S/C9H14N2O3/c10-3-1-8(13)9(14)6-5-11-4-2-7(6)12/h2,4-5,8-9,13-14H,1,3,10H2,(H,11,12)
InChIKeyZFUVABXXHNMLPW-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.88
Rot. Bonds4

About 3-(4-amino-1,2-dihydroxybutyl)-1H-pyridin-4-one

3-(4-amino-1,2-dihydroxybutyl)-1H-pyridin-4-one (PubChem CID 171880765) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-(4-amino-1,2-dihydroxybutyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(4-amino-1,2-dihydroxybutyl)-1H-pyridin-4-one
PubChem CID171880765
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name3-(4-amino-1,2-dihydroxybutyl)-1H-pyridin-4-one
SMILESNCCC(O)C(O)c1c[nH]ccc1=O
InChIInChI=1S/C9H14N2O3/c10-3-1-8(13)9(14)6-5-11-4-2-7(6)12/h2,4-5,8-9,13-14H,1,3,10H2,(H,11,12)
InChIKeyZFUVABXXHNMLPW-UHFFFAOYSA-N
XLogP-0.88
TPSA99.34 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,2,3-trihydroxypropyl)-1H-pyridin-4-one
CID 170817382
3-(3-azido-1,2-dihydroxypropyl)-1H-pyridin-4-one
CID 170825530
3-(3-amino-1,2-dihydroxypropyl)-1H-pyridin-4-one
CID 170827574
3-[1,2-dihydroxy-3-(methylamino)propyl]-1H-pyridin-4-one
CID 171857474
2,3-dihydroxy-3-(4-oxo-1H-pyridin-3-yl)propanamide
CID 171867672
2,3-dihydroxy-3-(4-oxo-1H-pyridin-3-yl)propanenitrile
CID 171869739
3-(1,2,4-trihydroxybutyl)-1H-pyridin-4-one
CID 171871808
3-(1,2-dihydroxy-4-sulfanylbutyl)-1H-pyridin-4-one
CID 171873600
3-(4-azido-1,2-dihydroxybutyl)-1H-pyridin-4-one
CID 171878973
N-[3,4-dihydroxy-4-(4-oxo-1H-pyridin-3-yl)butyl]acetamide
CID 171882557
tert-butyl N-[3,4-dihydroxy-4-(4-oxo-1H-pyridin-3-yl)butyl]carbamate
CID 171884349
3-[1,2-dihydroxy-4-(methylamino)butyl]-1H-pyridin-4-one
CID 171889725

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-1,2-dihydroxybutyl)-1H-pyridin-4-one?
The IUPAC name of 3-(4-amino-1,2-dihydroxybutyl)-1H-pyridin-4-one (CID 171880765) is 3-(4-amino-1,2-dihydroxybutyl)-1H-pyridin-4-one.
What is the SMILES notation for 3-(4-amino-1,2-dihydroxybutyl)-1H-pyridin-4-one?
The canonical SMILES for 3-(4-amino-1,2-dihydroxybutyl)-1H-pyridin-4-one is NCCC(O)C(O)c1c[nH]ccc1=O.
What is the InChIKey of 3-(4-amino-1,2-dihydroxybutyl)-1H-pyridin-4-one?
The InChIKey is ZFUVABXXHNMLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c10-3-1-8(13)9(14)6-5-11-4-2-7(6)12/h2,4-5,8-9,13-14H,1,3,10H2,(H,11,12).
What are the key properties of 3-(4-amino-1,2-dihydroxybutyl)-1H-pyridin-4-one?
3-(4-amino-1,2-dihydroxybutyl)-1H-pyridin-4-one has a molecular weight of 198.22 g/mol, XLogP of -0.88, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-1,2-dihydroxybutyl)-1H-pyridin-4-one is sourced from PubChem (CID 171880765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).