2-(1-hydroxyprop-2-enyl)pyridine-3-carboxamide

C9H10N2O2 — CID 66912543

IUPAC2-(1-hydroxyprop-2-enyl)pyridine-3-carboxamide
SMILESC=CC(O)c1ncccc1C(N)=O
InChIInChI=1S/C9H10N2O2/c1-2-7(12)8-6(9(10)13)4-3-5-11-8/h2-5,7,12H,1H2,(H2,10,13)
InChIKeyBGADICYPUXDCPU-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.40
Rot. Bonds3

About 2-(1-hydroxyprop-2-enyl)pyridine-3-carboxamide

2-(1-hydroxyprop-2-enyl)pyridine-3-carboxamide (PubChem CID 66912543) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-(1-hydroxyprop-2-enyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(1-hydroxyprop-2-enyl)pyridine-3-carboxamide
PubChem CID66912543
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name2-(1-hydroxyprop-2-enyl)pyridine-3-carboxamide
SMILESC=CC(O)c1ncccc1C(N)=O
InChIInChI=1S/C9H10N2O2/c1-2-7(12)8-6(9(10)13)4-3-5-11-8/h2-5,7,12H,1H2,(H2,10,13)
InChIKeyBGADICYPUXDCPU-UHFFFAOYSA-N
XLogP0.40
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(1-hydroxyprop-2-enyl)pyridine-3-carboxamide 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 2-(1-hydroxyprop-2-enyl)pyridine-3-carboxamide?
The IUPAC name of 2-(1-hydroxyprop-2-enyl)pyridine-3-carboxamide (CID 66912543) is 2-(1-hydroxyprop-2-enyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(1-hydroxyprop-2-enyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(1-hydroxyprop-2-enyl)pyridine-3-carboxamide is C=CC(O)c1ncccc1C(N)=O.
What is the InChIKey of 2-(1-hydroxyprop-2-enyl)pyridine-3-carboxamide?
The InChIKey is BGADICYPUXDCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-2-7(12)8-6(9(10)13)4-3-5-11-8/h2-5,7,12H,1H2,(H2,10,13).
What are the key properties of 2-(1-hydroxyprop-2-enyl)pyridine-3-carboxamide?
2-(1-hydroxyprop-2-enyl)pyridine-3-carboxamide has a molecular weight of 178.19 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyprop-2-enyl)pyridine-3-carboxamide is sourced from PubChem (CID 66912543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).