N-[1-(2-iodo-3-pyridinyl)ethyl]acetamide

C9H11IN2O — CID 87649733

IUPACN-[1-(2-iodo-3-pyridinyl)ethyl]acetamide
SMILESCC(=O)NC(C)c1cccnc1I
InChIInChI=1S/C9H11IN2O/c1-6(12-7(2)13)8-4-3-5-11-9(8)10/h3-6H,1-2H3,(H,12,13)
InChIKeyOPMUJTMLFISBAM-UHFFFAOYSA-N
MW290.10 g/mol
LogP1.88
Rot. Bonds2

About N-[1-(2-iodo-3-pyridinyl)ethyl]acetamide

N-[1-(2-iodo-3-pyridinyl)ethyl]acetamide (PubChem CID 87649733) has the molecular formula C9H11IN2O and a molecular weight of 290.10 g/mol. Its IUPAC name is N-[1-(2-iodo-3-pyridinyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[1-(2-iodo-3-pyridinyl)ethyl]acetamide
PubChem CID87649733
Molecular FormulaC9H11IN2O
Molecular Weight290.10 g/mol
Exact Mass289.99
IUPAC NameN-[1-(2-iodo-3-pyridinyl)ethyl]acetamide
SMILESCC(=O)NC(C)c1cccnc1I
InChIInChI=1S/C9H11IN2O/c1-6(12-7(2)13)8-4-3-5-11-9(8)10/h3-6H,1-2H3,(H,12,13)
InChIKeyOPMUJTMLFISBAM-UHFFFAOYSA-N
XLogP1.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.10
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-iodo-3-propan-2-ylpyridine
CID 23436890
N-[1-(3-chloro-2-pyridinyl)ethyl]acetamide
CID 177366200
N-[(1S)-1-quinolin-4-ylethyl]acetamide
CID 101472715
(3R)-3-acetamido-3-quinolin-8-ylpropanoic acid
CID 63968660
N-[1-[4-(2-ethoxy-3-pyridinyl)phenyl]ethyl]acetamide
CID 56706704
2-chloro-N-[(1S)-1-(2-fluoro-3-pyridinyl)ethyl]acetamide
CID 167829999
N-[(1S)-1-(2-ethenylphenyl)ethyl]acetamide
CID 118318081
N-[1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]acetamide
CID 110225702
N-[1-(2-methylphenyl)ethyl]-2-quinolin-8-ylacetamide
CID 51320797
N-[1-(furan-2-yl)ethyl]acetamide
CID 22460009
N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]acetamide
CID 100987523
1-[(1S)-1-naphthalen-1-ylethyl]-3-(quinolin-8-ylmethyl)urea
CID 99785833

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-iodo-3-pyridinyl)ethyl]acetamide?
The IUPAC name of N-[1-(2-iodo-3-pyridinyl)ethyl]acetamide (CID 87649733) is N-[1-(2-iodo-3-pyridinyl)ethyl]acetamide.
What is the SMILES notation for N-[1-(2-iodo-3-pyridinyl)ethyl]acetamide?
The canonical SMILES for N-[1-(2-iodo-3-pyridinyl)ethyl]acetamide is CC(=O)NC(C)c1cccnc1I.
What is the InChIKey of N-[1-(2-iodo-3-pyridinyl)ethyl]acetamide?
The InChIKey is OPMUJTMLFISBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN2O/c1-6(12-7(2)13)8-4-3-5-11-9(8)10/h3-6H,1-2H3,(H,12,13).
What are the key properties of N-[1-(2-iodo-3-pyridinyl)ethyl]acetamide?
N-[1-(2-iodo-3-pyridinyl)ethyl]acetamide has a molecular weight of 290.10 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-iodo-3-pyridinyl)ethyl]acetamide is sourced from PubChem (CID 87649733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).