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

C8H12N2O3 — CID 170827574

IUPAC3-(3-amino-1,2-dihydroxypropyl)-1H-pyridin-4-one
SMILESNCC(O)C(O)c1c[nH]ccc1=O
InChIInChI=1S/C8H12N2O3/c9-3-7(12)8(13)5-4-10-2-1-6(5)11/h1-2,4,7-8,12-13H,3,9H2,(H,10,11)
InChIKeyKQPWUPGOYRPMIP-UHFFFAOYSA-N
MW184.19 g/mol
LogP-1.27
Rot. Bonds3

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

3-(3-amino-1,2-dihydroxypropyl)-1H-pyridin-4-one (PubChem CID 170827574) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 3-(3-amino-1,2-dihydroxypropyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(3-amino-1,2-dihydroxypropyl)-1H-pyridin-4-one
PubChem CID170827574
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name3-(3-amino-1,2-dihydroxypropyl)-1H-pyridin-4-one
SMILESNCC(O)C(O)c1c[nH]ccc1=O
InChIInChI=1S/C8H12N2O3/c9-3-7(12)8(13)5-4-10-2-1-6(5)11/h1-2,4,7-8,12-13H,3,9H2,(H,10,11)
InChIKeyKQPWUPGOYRPMIP-UHFFFAOYSA-N
XLogP-1.27
TPSA99.34 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-1.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-1,2-dihydroxypropyl)-1H-pyridin-4-one?
The IUPAC name of 3-(3-amino-1,2-dihydroxypropyl)-1H-pyridin-4-one (CID 170827574) is 3-(3-amino-1,2-dihydroxypropyl)-1H-pyridin-4-one.
What is the SMILES notation for 3-(3-amino-1,2-dihydroxypropyl)-1H-pyridin-4-one?
The canonical SMILES for 3-(3-amino-1,2-dihydroxypropyl)-1H-pyridin-4-one is NCC(O)C(O)c1c[nH]ccc1=O.
What is the InChIKey of 3-(3-amino-1,2-dihydroxypropyl)-1H-pyridin-4-one?
The InChIKey is KQPWUPGOYRPMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c9-3-7(12)8(13)5-4-10-2-1-6(5)11/h1-2,4,7-8,12-13H,3,9H2,(H,10,11).
What are the key properties of 3-(3-amino-1,2-dihydroxypropyl)-1H-pyridin-4-one?
3-(3-amino-1,2-dihydroxypropyl)-1H-pyridin-4-one has a molecular weight of 184.19 g/mol, XLogP of -1.27, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-1,2-dihydroxypropyl)-1H-pyridin-4-one is sourced from PubChem (CID 170827574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).