2-(3,5-dimethylphenoxy)-N-(5-iodo-6-methyl-2-pyridinyl)acetamide

C16H17IN2O2 — CID 19630585

IUPAC2-(3,5-dimethylphenoxy)-N-(5-iodo-6-methyl-2-pyridinyl)acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2ccc(I)c(C)n2)c1
InChIInChI=1S/C16H17IN2O2/c1-10-6-11(2)8-13(7-10)21-9-16(20)19-15-5-4-14(17)12(3)18-15/h4-8H,9H2,1-3H3,(H,18,19,20)
InChIKeyFLRMGRQZFAWXTR-UHFFFAOYSA-N
MW396.23 g/mol
LogP3.63
Rot. Bonds4

About 2-(3,5-dimethylphenoxy)-N-(5-iodo-6-methyl-2-pyridinyl)acetamide

2-(3,5-dimethylphenoxy)-N-(5-iodo-6-methyl-2-pyridinyl)acetamide (PubChem CID 19630585) has the molecular formula C16H17IN2O2 and a molecular weight of 396.23 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-(5-iodo-6-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-(5-iodo-6-methyl-2-pyridinyl)acetamide
PubChem CID19630585
Molecular FormulaC16H17IN2O2
Molecular Weight396.23 g/mol
Exact Mass396.03
IUPAC Name2-(3,5-dimethylphenoxy)-N-(5-iodo-6-methyl-2-pyridinyl)acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2ccc(I)c(C)n2)c1
InChIInChI=1S/C16H17IN2O2/c1-10-6-11(2)8-13(7-10)21-9-16(20)19-15-5-4-14(17)12(3)18-15/h4-8H,9H2,1-3H3,(H,18,19,20)
InChIKeyFLRMGRQZFAWXTR-UHFFFAOYSA-N
XLogP3.63
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.23
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-iodo-6-methyl-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 75448255
N-(5-iodo-6-methyl-2-pyridinyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 17117025
N-(5-iodo-6-methyl-2-pyridinyl)-2-naphthalen-1-yloxyacetamide
CID 22776946
2-(3,5-dimethylphenoxy)-N-(4-iodophenyl)acetamide
CID 2554425
N-(5-bromo-6-methyl-2-pyridinyl)-2-(4-methylphenoxy)acetamide
CID 925711
2-(3,5-dimethylphenoxy)-N-(3-iodo-4-methylphenyl)acetamide
CID 18287456
2-(3,5-dimethylphenoxy)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide
CID 17014491
methyl 2-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenoxy]acetate
CID 2975656
2-(3,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 679981
N-(4-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 7784194
N-(5-bromo-6-methyl-2-pyridinyl)-2-[4-(dihydroxyamino)phenoxy]acetamide
CID 123643781
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-methoxyphenyl)acetohydrazide
CID 909252

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-(5-iodo-6-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-(5-iodo-6-methyl-2-pyridinyl)acetamide (CID 19630585) is 2-(3,5-dimethylphenoxy)-N-(5-iodo-6-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-(5-iodo-6-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-(5-iodo-6-methyl-2-pyridinyl)acetamide is Cc1cc(C)cc(OCC(=O)Nc2ccc(I)c(C)n2)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-(5-iodo-6-methyl-2-pyridinyl)acetamide?
The InChIKey is FLRMGRQZFAWXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN2O2/c1-10-6-11(2)8-13(7-10)21-9-16(20)19-15-5-4-14(17)12(3)18-15/h4-8H,9H2,1-3H3,(H,18,19,20).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-(5-iodo-6-methyl-2-pyridinyl)acetamide?
2-(3,5-dimethylphenoxy)-N-(5-iodo-6-methyl-2-pyridinyl)acetamide has a molecular weight of 396.23 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-(5-iodo-6-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 19630585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).