3-iodo-N-(1-methyl-6-oxo-3-pyridinyl)benzamide

C13H11IN2O2 — CID 61151450

IUPAC3-iodo-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
SMILESCn1cc(NC(=O)c2cccc(I)c2)ccc1=O
InChIInChI=1S/C13H11IN2O2/c1-16-8-11(5-6-12(16)17)15-13(18)9-3-2-4-10(14)7-9/h2-8H,1H3,(H,15,18)
InChIKeyGVHDYZVNKDPTKJ-UHFFFAOYSA-N
MW354.15 g/mol
LogP2.24
Rot. Bonds2

About 3-iodo-N-(1-methyl-6-oxo-3-pyridinyl)benzamide

3-iodo-N-(1-methyl-6-oxo-3-pyridinyl)benzamide (PubChem CID 61151450) has the molecular formula C13H11IN2O2 and a molecular weight of 354.15 g/mol. Its IUPAC name is 3-iodo-N-(1-methyl-6-oxo-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3-iodo-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
PubChem CID61151450
Molecular FormulaC13H11IN2O2
Molecular Weight354.15 g/mol
Exact Mass353.99
IUPAC Name3-iodo-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
SMILESCn1cc(NC(=O)c2cccc(I)c2)ccc1=O
InChIInChI=1S/C13H11IN2O2/c1-16-8-11(5-6-12(16)17)15-13(18)9-3-2-4-10(14)7-9/h2-8H,1H3,(H,15,18)
InChIKeyGVHDYZVNKDPTKJ-UHFFFAOYSA-N
XLogP2.24
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.15
LogP ≤ 52.24
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

4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 47341998
N-(3-acetylphenyl)-1-methyl-6-oxopyridine-3-carboxamide
CID 110693091
4-bromo-3-chloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 80973979
3-iodo-N-(4-propan-2-ylphenyl)benzamide
CID 1154174
4-amino-3,5-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 82832923
2-fluoro-3-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 80718081
N-[4-(diethylamino)phenyl]-3-iodobenzamide
CID 2665797
N-(4-bromo-3,5-dimethylphenyl)-3-iodobenzamide
CID 107574838
N-(4-iodophenyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103610749
6-chloro-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-2-carboxamide
CID 62234899
3-iodo-N-pyrimidin-5-ylbenzamide
CID 104856856
N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-4-[(3-iodobenzoyl)amino]-1-methylpyrrole-2-carboxamide
CID 100931012

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-(1-methyl-6-oxo-3-pyridinyl)benzamide?
The IUPAC name of 3-iodo-N-(1-methyl-6-oxo-3-pyridinyl)benzamide (CID 61151450) is 3-iodo-N-(1-methyl-6-oxo-3-pyridinyl)benzamide.
What is the SMILES notation for 3-iodo-N-(1-methyl-6-oxo-3-pyridinyl)benzamide?
The canonical SMILES for 3-iodo-N-(1-methyl-6-oxo-3-pyridinyl)benzamide is Cn1cc(NC(=O)c2cccc(I)c2)ccc1=O.
What is the InChIKey of 3-iodo-N-(1-methyl-6-oxo-3-pyridinyl)benzamide?
The InChIKey is GVHDYZVNKDPTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IN2O2/c1-16-8-11(5-6-12(16)17)15-13(18)9-3-2-4-10(14)7-9/h2-8H,1H3,(H,15,18).
What are the key properties of 3-iodo-N-(1-methyl-6-oxo-3-pyridinyl)benzamide?
3-iodo-N-(1-methyl-6-oxo-3-pyridinyl)benzamide has a molecular weight of 354.15 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-(1-methyl-6-oxo-3-pyridinyl)benzamide is sourced from PubChem (CID 61151450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).