3-(3-amino-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)propanenitrile

C9H11N3O2 — CID 23338667

IUPAC3-(3-amino-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)propanenitrile
SMILESCc1cc(=O)n(CCC#N)c(O)c1N
InChIInChI=1S/C9H11N3O2/c1-6-5-7(13)12(4-2-3-10)9(14)8(6)11/h5,14H,2,4,11H2,1H3
InChIKeyHGXFBMBCKJJFHP-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.36
Rot. Bonds2

About 3-(3-amino-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)propanenitrile

3-(3-amino-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)propanenitrile (PubChem CID 23338667) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 3-(3-amino-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)propanenitrile.

Molecular Properties

Compound Name3-(3-amino-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)propanenitrile
PubChem CID23338667
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name3-(3-amino-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)propanenitrile
SMILESCc1cc(=O)n(CCC#N)c(O)c1N
InChIInChI=1S/C9H11N3O2/c1-6-5-7(13)12(4-2-3-10)9(14)8(6)11/h5,14H,2,4,11H2,1H3
InChIKeyHGXFBMBCKJJFHP-UHFFFAOYSA-N
XLogP0.36
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)propanenitrile?
The IUPAC name of 3-(3-amino-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)propanenitrile (CID 23338667) is 3-(3-amino-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)propanenitrile.
What is the SMILES notation for 3-(3-amino-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)propanenitrile?
The canonical SMILES for 3-(3-amino-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)propanenitrile is Cc1cc(=O)n(CCC#N)c(O)c1N.
What is the InChIKey of 3-(3-amino-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)propanenitrile?
The InChIKey is HGXFBMBCKJJFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-6-5-7(13)12(4-2-3-10)9(14)8(6)11/h5,14H,2,4,11H2,1H3.
What are the key properties of 3-(3-amino-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)propanenitrile?
3-(3-amino-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)propanenitrile has a molecular weight of 193.21 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)propanenitrile is sourced from PubChem (CID 23338667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).