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

C8H9IN2O — CID 138478172

IUPAC2-iodo-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(CI)NCc1ccncc1
InChIInChI=1S/C8H9IN2O/c9-5-8(12)11-6-7-1-3-10-4-2-7/h1-4H,5-6H2,(H,11,12)
InChIKeyGKXJNUCCOJDNBV-UHFFFAOYSA-N
MW276.08 g/mol
LogP1.13
Rot. Bonds3

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

2-iodo-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 138478172) has the molecular formula C8H9IN2O and a molecular weight of 276.08 g/mol. Its IUPAC name is 2-iodo-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-iodo-N-(pyridin-4-ylmethyl)acetamide
PubChem CID138478172
Molecular FormulaC8H9IN2O
Molecular Weight276.08 g/mol
Exact Mass275.98
IUPAC Name2-iodo-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(CI)NCc1ccncc1
InChIInChI=1S/C8H9IN2O/c9-5-8(12)11-6-7-1-3-10-4-2-7/h1-4H,5-6H2,(H,11,12)
InChIKeyGKXJNUCCOJDNBV-UHFFFAOYSA-N
XLogP1.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.08
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-azido-N-(pyridin-4-ylmethyl)acetamide
CID 112708135
4-hydroxy-N-(pyridin-4-ylmethyl)butanamide
CID 79002356
3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 4634724
2-amino-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]acetamide
CID 60848280
4,4,4-trifluoro-N-(pyridin-4-ylmethyl)butanamide
CID 154583502
N'-propan-2-yl-N-(pyridin-4-ylmethyl)propanediamide
CID 108940811
3-cyano-N-(pyridin-4-ylmethyl)propanamide
CID 82111754
ethane;pyridin-4-ylmethylurea
CID 144877282
2-oxo-N-(pyridin-4-ylmethyl)acetamide
CID 88952293
N-(pyridin-4-ylmethyl)dodecanamide
CID 4285447
N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 112993165
N'-(4-acetylphenyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947858

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-iodo-N-(pyridin-4-ylmethyl)acetamide (CID 138478172) is 2-iodo-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-iodo-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-iodo-N-(pyridin-4-ylmethyl)acetamide is O=C(CI)NCc1ccncc1.
What is the InChIKey of 2-iodo-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is GKXJNUCCOJDNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IN2O/c9-5-8(12)11-6-7-1-3-10-4-2-7/h1-4H,5-6H2,(H,11,12).
What are the key properties of 2-iodo-N-(pyridin-4-ylmethyl)acetamide?
2-iodo-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 276.08 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 138478172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).