2-(5-iodo-3-methyl-2-oxo-1-pyridinyl)-N,N-dimethylacetamide

C10H13IN2O2 — CID 84590877

IUPAC2-(5-iodo-3-methyl-2-oxo-1-pyridinyl)-N,N-dimethylacetamide
SMILESCc1cc(I)cn(CC(=O)N(C)C)c1=O
InChIInChI=1S/C10H13IN2O2/c1-7-4-8(11)5-13(10(7)15)6-9(14)12(2)3/h4-5H,6H2,1-3H3
InChIKeyFGJBRLQTMHTLIZ-UHFFFAOYSA-N
MW320.13 g/mol
LogP0.85
Rot. Bonds2

About 2-(5-iodo-3-methyl-2-oxo-1-pyridinyl)-N,N-dimethylacetamide

2-(5-iodo-3-methyl-2-oxo-1-pyridinyl)-N,N-dimethylacetamide (PubChem CID 84590877) has the molecular formula C10H13IN2O2 and a molecular weight of 320.13 g/mol. Its IUPAC name is 2-(5-iodo-3-methyl-2-oxo-1-pyridinyl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(5-iodo-3-methyl-2-oxo-1-pyridinyl)-N,N-dimethylacetamide
PubChem CID84590877
Molecular FormulaC10H13IN2O2
Molecular Weight320.13 g/mol
Exact Mass320.00
IUPAC Name2-(5-iodo-3-methyl-2-oxo-1-pyridinyl)-N,N-dimethylacetamide
SMILESCc1cc(I)cn(CC(=O)N(C)C)c1=O
InChIInChI=1S/C10H13IN2O2/c1-7-4-8(11)5-13(10(7)15)6-9(14)12(2)3/h4-5H,6H2,1-3H3
InChIKeyFGJBRLQTMHTLIZ-UHFFFAOYSA-N
XLogP0.85
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.13
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-iodo-3-methyl-2-oxo-1-pyridinyl)-N,N-dimethylacetamide?
The IUPAC name of 2-(5-iodo-3-methyl-2-oxo-1-pyridinyl)-N,N-dimethylacetamide (CID 84590877) is 2-(5-iodo-3-methyl-2-oxo-1-pyridinyl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(5-iodo-3-methyl-2-oxo-1-pyridinyl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(5-iodo-3-methyl-2-oxo-1-pyridinyl)-N,N-dimethylacetamide is Cc1cc(I)cn(CC(=O)N(C)C)c1=O.
What is the InChIKey of 2-(5-iodo-3-methyl-2-oxo-1-pyridinyl)-N,N-dimethylacetamide?
The InChIKey is FGJBRLQTMHTLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2O2/c1-7-4-8(11)5-13(10(7)15)6-9(14)12(2)3/h4-5H,6H2,1-3H3.
What are the key properties of 2-(5-iodo-3-methyl-2-oxo-1-pyridinyl)-N,N-dimethylacetamide?
2-(5-iodo-3-methyl-2-oxo-1-pyridinyl)-N,N-dimethylacetamide has a molecular weight of 320.13 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-iodo-3-methyl-2-oxo-1-pyridinyl)-N,N-dimethylacetamide is sourced from PubChem (CID 84590877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).