N-(3-hydroxy-4-pyridinyl)-2-methylpropanamide

C9H12N2O2 — CID 45123079

IUPACN-(3-hydroxy-4-pyridinyl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccncc1O
InChIInChI=1S/C9H12N2O2/c1-6(2)9(13)11-7-3-4-10-5-8(7)12/h3-6,12H,1-2H3,(H,10,11,13)
InChIKeyJGURKVVJMMMEOY-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.38
Rot. Bonds2

About N-(3-hydroxy-4-pyridinyl)-2-methylpropanamide

N-(3-hydroxy-4-pyridinyl)-2-methylpropanamide (PubChem CID 45123079) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is N-(3-hydroxy-4-pyridinyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-pyridinyl)-2-methylpropanamide
PubChem CID45123079
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC NameN-(3-hydroxy-4-pyridinyl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccncc1O
InChIInChI=1S/C9H12N2O2/c1-6(2)9(13)11-7-3-4-10-5-8(7)12/h3-6,12H,1-2H3,(H,10,11,13)
InChIKeyJGURKVVJMMMEOY-UHFFFAOYSA-N
XLogP1.38
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-hydroxy-4-pyridinyl)-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-pyridinyl)-2-methylpropanamide?
The IUPAC name of N-(3-hydroxy-4-pyridinyl)-2-methylpropanamide (CID 45123079) is N-(3-hydroxy-4-pyridinyl)-2-methylpropanamide.
What is the SMILES notation for N-(3-hydroxy-4-pyridinyl)-2-methylpropanamide?
The canonical SMILES for N-(3-hydroxy-4-pyridinyl)-2-methylpropanamide is CC(C)C(=O)Nc1ccncc1O.
What is the InChIKey of N-(3-hydroxy-4-pyridinyl)-2-methylpropanamide?
The InChIKey is JGURKVVJMMMEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6(2)9(13)11-7-3-4-10-5-8(7)12/h3-6,12H,1-2H3,(H,10,11,13).
What are the key properties of N-(3-hydroxy-4-pyridinyl)-2-methylpropanamide?
N-(3-hydroxy-4-pyridinyl)-2-methylpropanamide has a molecular weight of 180.21 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-pyridinyl)-2-methylpropanamide is sourced from PubChem (CID 45123079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).