2-(5-iodo-3-methyl-2-oxo-1-pyridinyl)-N-[(2-methoxyphenyl)methyl]acetamide

C16H17IN2O3 — CID 71909112

IUPAC2-(5-iodo-3-methyl-2-oxo-1-pyridinyl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)Cn1cc(I)cc(C)c1=O
InChIInChI=1S/C16H17IN2O3/c1-11-7-13(17)9-19(16(11)21)10-15(20)18-8-12-5-3-4-6-14(12)22-2/h3-7,9H,8,10H2,1-2H3,(H,18,20)
InChIKeyBJXYLIFYIZDENK-UHFFFAOYSA-N
MW412.23 g/mol
LogP2.09
Rot. Bonds5

About 2-(5-iodo-3-methyl-2-oxo-1-pyridinyl)-N-[(2-methoxyphenyl)methyl]acetamide

2-(5-iodo-3-methyl-2-oxo-1-pyridinyl)-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 71909112) has the molecular formula C16H17IN2O3 and a molecular weight of 412.23 g/mol. Its IUPAC name is 2-(5-iodo-3-methyl-2-oxo-1-pyridinyl)-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-iodo-3-methyl-2-oxo-1-pyridinyl)-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID71909112
Molecular FormulaC16H17IN2O3
Molecular Weight412.23 g/mol
Exact Mass412.03
IUPAC Name2-(5-iodo-3-methyl-2-oxo-1-pyridinyl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)Cn1cc(I)cc(C)c1=O
InChIInChI=1S/C16H17IN2O3/c1-11-7-13(17)9-19(16(11)21)10-15(20)18-8-12-5-3-4-6-14(12)22-2/h3-7,9H,8,10H2,1-2H3,(H,18,20)
InChIKeyBJXYLIFYIZDENK-UHFFFAOYSA-N
XLogP2.09
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.23
LogP ≤ 52.09
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

N-[(2-methoxyphenyl)methyl]-2-(1-oxoisoquinolin-2-yl)acetamide
CID 4171042
N-[(2-methoxyphenyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51179207
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
CID 71848842
2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 53024095
2-(5-chloroindol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 39351923
N-[(2-methoxyphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 8901770
2-[(2-methoxyphenyl)methylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 108996645
N-[(2-methoxyphenyl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 3662930
N-[(2-methoxyphenyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 27687387
N-[(2-methoxyphenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 26022125
N-[(2-methoxyphenyl)methyl]-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978023
2-(azocan-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 51170947

Frequently Asked Questions

What is the IUPAC name of 2-(5-iodo-3-methyl-2-oxo-1-pyridinyl)-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(5-iodo-3-methyl-2-oxo-1-pyridinyl)-N-[(2-methoxyphenyl)methyl]acetamide (CID 71909112) is 2-(5-iodo-3-methyl-2-oxo-1-pyridinyl)-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(5-iodo-3-methyl-2-oxo-1-pyridinyl)-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(5-iodo-3-methyl-2-oxo-1-pyridinyl)-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)Cn1cc(I)cc(C)c1=O.
What is the InChIKey of 2-(5-iodo-3-methyl-2-oxo-1-pyridinyl)-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is BJXYLIFYIZDENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN2O3/c1-11-7-13(17)9-19(16(11)21)10-15(20)18-8-12-5-3-4-6-14(12)22-2/h3-7,9H,8,10H2,1-2H3,(H,18,20).
What are the key properties of 2-(5-iodo-3-methyl-2-oxo-1-pyridinyl)-N-[(2-methoxyphenyl)methyl]acetamide?
2-(5-iodo-3-methyl-2-oxo-1-pyridinyl)-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 412.23 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-iodo-3-methyl-2-oxo-1-pyridinyl)-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 71909112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).