2-oxo-N-(pyridin-4-ylmethyl)acetamide

C8H8N2O2 — CID 88952293

IUPAC2-oxo-N-(pyridin-4-ylmethyl)acetamide
SMILESO=CC(=O)NCc1ccncc1
InChIInChI=1S/C8H8N2O2/c11-6-8(12)10-5-7-1-3-9-4-2-7/h1-4,6H,5H2,(H,10,12)
InChIKeyAGMXPCQPNWQEON-UHFFFAOYSA-N
MW164.16 g/mol
LogP-0.10
Rot. Bonds3

About 2-oxo-N-(pyridin-4-ylmethyl)acetamide

2-oxo-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 88952293) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 2-oxo-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-oxo-N-(pyridin-4-ylmethyl)acetamide
PubChem CID88952293
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name2-oxo-N-(pyridin-4-ylmethyl)acetamide
SMILESO=CC(=O)NCc1ccncc1
InChIInChI=1S/C8H8N2O2/c11-6-8(12)10-5-7-1-3-9-4-2-7/h1-4,6H,5H2,(H,10,12)
InChIKeyAGMXPCQPNWQEON-UHFFFAOYSA-N
XLogP-0.10
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-N-(pyridin-4-ylmethyl)acetamide
CID 138478172
ethane;pyridin-4-ylmethylurea
CID 144877282
3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 895858
4-hydroxy-N-(pyridin-4-ylmethyl)butanamide
CID 79002356
3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 4634724
N-(pyridin-4-ylmethyl)-3-thiophen-2-ylprop-2-enamide
CID 4165696
1-(2-methylprop-1-enyl)-3-(pyridin-4-ylmethyl)urea
CID 108909886
(2S)-3-methylidene-1-N,2-N-bis(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 21177980
N-(pyridin-4-ylmethyl)dodecanamide
CID 4285447
2,2-dimethyl-N-[(4-methylphenyl)methyl]-N'-(pyridin-4-ylmethyl)propanediamide
CID 108961964
(2S)-2-amino-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 61148496
2,6-dihydroxy-N-(pyridin-4-ylmethyl)benzamide
CID 113254463

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-oxo-N-(pyridin-4-ylmethyl)acetamide (CID 88952293) is 2-oxo-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-oxo-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-oxo-N-(pyridin-4-ylmethyl)acetamide is O=CC(=O)NCc1ccncc1.
What is the InChIKey of 2-oxo-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is AGMXPCQPNWQEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c11-6-8(12)10-5-7-1-3-9-4-2-7/h1-4,6H,5H2,(H,10,12).
What are the key properties of 2-oxo-N-(pyridin-4-ylmethyl)acetamide?
2-oxo-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 164.16 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 88952293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).