3-amino-1-(2-hydroxypropyl)pyridin-4-one

C8H12N2O2 — CID 82993802

IUPAC3-amino-1-(2-hydroxypropyl)pyridin-4-one
SMILESCC(O)Cn1ccc(=O)c(N)c1
InChIInChI=1S/C8H12N2O2/c1-6(11)4-10-3-2-8(12)7(9)5-10/h2-3,5-6,11H,4,9H2,1H3
InChIKeyPMBVAMLMJCRTJU-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.19
Rot. Bonds2

About 3-amino-1-(2-hydroxypropyl)pyridin-4-one

3-amino-1-(2-hydroxypropyl)pyridin-4-one (PubChem CID 82993802) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-amino-1-(2-hydroxypropyl)pyridin-4-one.

Molecular Properties

Compound Name3-amino-1-(2-hydroxypropyl)pyridin-4-one
PubChem CID82993802
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name3-amino-1-(2-hydroxypropyl)pyridin-4-one
SMILESCC(O)Cn1ccc(=O)c(N)c1
InChIInChI=1S/C8H12N2O2/c1-6(11)4-10-3-2-8(12)7(9)5-10/h2-3,5-6,11H,4,9H2,1H3
InChIKeyPMBVAMLMJCRTJU-UHFFFAOYSA-N
XLogP-0.19
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-hydroxypropyl)pyridin-4-one?
The IUPAC name of 3-amino-1-(2-hydroxypropyl)pyridin-4-one (CID 82993802) is 3-amino-1-(2-hydroxypropyl)pyridin-4-one.
What is the SMILES notation for 3-amino-1-(2-hydroxypropyl)pyridin-4-one?
The canonical SMILES for 3-amino-1-(2-hydroxypropyl)pyridin-4-one is CC(O)Cn1ccc(=O)c(N)c1.
What is the InChIKey of 3-amino-1-(2-hydroxypropyl)pyridin-4-one?
The InChIKey is PMBVAMLMJCRTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-6(11)4-10-3-2-8(12)7(9)5-10/h2-3,5-6,11H,4,9H2,1H3.
What are the key properties of 3-amino-1-(2-hydroxypropyl)pyridin-4-one?
3-amino-1-(2-hydroxypropyl)pyridin-4-one has a molecular weight of 168.20 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-hydroxypropyl)pyridin-4-one is sourced from PubChem (CID 82993802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).