2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide

C16H16I2N2O3 — CID 4844140

IUPAC2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)Cn2cc(I)c(=O)c(I)c2)cc1
InChIInChI=1S/C16H16I2N2O3/c1-23-12-4-2-11(3-5-12)6-7-19-15(21)10-20-8-13(17)16(22)14(18)9-20/h2-5,8-9H,6-7,10H2,1H3,(H,19,21)
InChIKeyLGCCGTRAKKEHKD-UHFFFAOYSA-N
MW538.12 g/mol
LogP2.42
Rot. Bonds6

About 2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide

2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 4844140) has the molecular formula C16H16I2N2O3 and a molecular weight of 538.12 g/mol. Its IUPAC name is 2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID4844140
Molecular FormulaC16H16I2N2O3
Molecular Weight538.12 g/mol
Exact Mass537.93
IUPAC Name2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)Cn2cc(I)c(=O)c(I)c2)cc1
InChIInChI=1S/C16H16I2N2O3/c1-23-12-4-2-11(3-5-12)6-7-19-15(21)10-20-8-13(17)16(22)14(18)9-20/h2-5,8-9H,6-7,10H2,1H3,(H,19,21)
InChIKeyLGCCGTRAKKEHKD-UHFFFAOYSA-N
XLogP2.42
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.12
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 110688801
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 699193
4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 79017762
2-(2,4-dioxo-5-propan-2-ylidene-1,3-thiazolidin-3-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 18808977
2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 110686711
N-[2-(4-methoxyphenyl)ethyl]-2-(1,3,9-trimethyl-2,6,8-trioxopurin-7-yl)acetamide
CID 122635897
4-[2-[4-(4-methoxyphenoxy)phenyl]ethylamino]-4-oxobutanoic acid
CID 20991677
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761409
3-acetamido-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 8896928
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2701039
4-chloro-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 3613637
N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022424

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 4844140) is 2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)Cn2cc(I)c(=O)c(I)c2)cc1.
What is the InChIKey of 2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is LGCCGTRAKKEHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16I2N2O3/c1-23-12-4-2-11(3-5-12)6-7-19-15(21)10-20-8-13(17)16(22)14(18)9-20/h2-5,8-9H,6-7,10H2,1H3,(H,19,21).
What are the key properties of 2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 538.12 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 4844140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).