2-Acetamidopyridine

C7H8N2O — CID 72929

IUPACN-pyridin-2-ylacetamide
SMILESCC(=O)NC1=CC=CC=N1
InChIInChI=1S/C7H8N2O/c1-6(10)9-7-4-2-3-5-8-7/h2-5H,1H3,(H,8,9,10)
InChIKeyQROKOTBWFZITJZ-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.60
Rot. Bonds1

About 2-Acetamidopyridine

2-Acetamidopyridine (PubChem CID 72929) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-Acetamidopyridine
PubChem CID72929
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC NameN-pyridin-2-ylacetamide
SMILESCC(=O)NC1=CC=CC=N1
InChIInChI=1S/C7H8N2O/c1-6(10)9-7-4-2-3-5-8-7/h2-5H,1H3,(H,8,9,10)
InChIKeyQROKOTBWFZITJZ-UHFFFAOYSA-N
XLogP0.60
TPSA42.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity125

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-Acetamidopyridine?
The IUPAC name of 2-Acetamidopyridine (CID 72929) is N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-Acetamidopyridine?
The canonical SMILES for 2-Acetamidopyridine is CC(=O)NC1=CC=CC=N1.
What is the InChIKey of 2-Acetamidopyridine?
The InChIKey is QROKOTBWFZITJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c1-6(10)9-7-4-2-3-5-8-7/h2-5H,1H3,(H,8,9,10).
What are the key properties of 2-Acetamidopyridine?
2-Acetamidopyridine has a molecular weight of 136.15 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Acetamidopyridine is sourced from PubChem (CID 72929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).