N-[(2-oxo-1H-pyridin-3-yl)methyl]acetamide

C8H10N2O2 — CID 126678970

IUPACN-[(2-oxo-1H-pyridin-3-yl)methyl]acetamide
SMILESCC(=O)NCc1ccc[nH]c1=O
InChIInChI=1S/C8H10N2O2/c1-6(11)10-5-7-3-2-4-9-8(7)12/h2-4H,5H2,1H3,(H,9,12)(H,10,11)
InChIKeyXEQQGZAXNRIFJV-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.01
Rot. Bonds2

About N-[(2-oxo-1H-pyridin-3-yl)methyl]acetamide

N-[(2-oxo-1H-pyridin-3-yl)methyl]acetamide (PubChem CID 126678970) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is N-[(2-oxo-1H-pyridin-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2-oxo-1H-pyridin-3-yl)methyl]acetamide
PubChem CID126678970
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC NameN-[(2-oxo-1H-pyridin-3-yl)methyl]acetamide
SMILESCC(=O)NCc1ccc[nH]c1=O
InChIInChI=1S/C8H10N2O2/c1-6(11)10-5-7-3-2-4-9-8(7)12/h2-4H,5H2,1H3,(H,9,12)(H,10,11)
InChIKeyXEQQGZAXNRIFJV-UHFFFAOYSA-N
XLogP0.01
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-oxo-1H-pyridin-3-yl)methyl]acetamide?
The IUPAC name of N-[(2-oxo-1H-pyridin-3-yl)methyl]acetamide (CID 126678970) is N-[(2-oxo-1H-pyridin-3-yl)methyl]acetamide.
What is the SMILES notation for N-[(2-oxo-1H-pyridin-3-yl)methyl]acetamide?
The canonical SMILES for N-[(2-oxo-1H-pyridin-3-yl)methyl]acetamide is CC(=O)NCc1ccc[nH]c1=O.
What is the InChIKey of N-[(2-oxo-1H-pyridin-3-yl)methyl]acetamide?
The InChIKey is XEQQGZAXNRIFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-6(11)10-5-7-3-2-4-9-8(7)12/h2-4H,5H2,1H3,(H,9,12)(H,10,11).
What are the key properties of N-[(2-oxo-1H-pyridin-3-yl)methyl]acetamide?
N-[(2-oxo-1H-pyridin-3-yl)methyl]acetamide has a molecular weight of 166.18 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxo-1H-pyridin-3-yl)methyl]acetamide is sourced from PubChem (CID 126678970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).