N-(5-amino-3-methyl-2-pyridinyl)-2-iodobenzamide

C13H12IN3O — CID 112555395

IUPACN-(5-amino-3-methyl-2-pyridinyl)-2-iodobenzamide
SMILESCc1cc(N)cnc1NC(=O)c1ccccc1I
InChIInChI=1S/C13H12IN3O/c1-8-6-9(15)7-16-12(8)17-13(18)10-4-2-3-5-11(10)14/h2-7H,15H2,1H3,(H,16,17,18)
InChIKeyNFHSTGRXZDMRJL-UHFFFAOYSA-N
MW353.16 g/mol
LogP2.83
Rot. Bonds2

About N-(5-amino-3-methyl-2-pyridinyl)-2-iodobenzamide

N-(5-amino-3-methyl-2-pyridinyl)-2-iodobenzamide (PubChem CID 112555395) has the molecular formula C13H12IN3O and a molecular weight of 353.16 g/mol. Its IUPAC name is N-(5-amino-3-methyl-2-pyridinyl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(5-amino-3-methyl-2-pyridinyl)-2-iodobenzamide
PubChem CID112555395
Molecular FormulaC13H12IN3O
Molecular Weight353.16 g/mol
Exact Mass353.00
IUPAC NameN-(5-amino-3-methyl-2-pyridinyl)-2-iodobenzamide
SMILESCc1cc(N)cnc1NC(=O)c1ccccc1I
InChIInChI=1S/C13H12IN3O/c1-8-6-9(15)7-16-12(8)17-13(18)10-4-2-3-5-11(10)14/h2-7H,15H2,1H3,(H,16,17,18)
InChIKeyNFHSTGRXZDMRJL-UHFFFAOYSA-N
XLogP2.83
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.16
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5-amino-3-methyl-2-pyridinyl)-2-iodobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-amino-3-methyl-2-pyridinyl)-2-fluoro-3-methylbenzamide
CID 112555333
N-(5-amino-3-methyl-2-pyridinyl)-2-(difluoromethoxy)benzamide
CID 115910735
N-(5-amino-3-methyl-2-pyridinyl)-3-iodobenzamide
CID 112555248
N-(5-amino-3-methyl-2-pyridinyl)-2,5-dichlorobenzamide
CID 112555309
N-(5-amino-3-methyl-2-pyridinyl)-2,4-dihydroxybenzamide
CID 107721514
N-(5-amino-3-methyl-2-pyridinyl)-2-hydroxy-4-methylbenzamide
CID 112555246
N-(5-amino-3-methyl-2-pyridinyl)-2-bromo-4-methylbenzamide
CID 112555464
N-(5-amino-3-methyl-2-pyridinyl)-2-bromo-5-methylbenzamide
CID 112555334
2-chloro-N-(5-iodo-3-methyl-2-pyridinyl)benzamide
CID 21216463
N-(5-amino-3-methyl-2-pyridinyl)-4-hydroxybenzamide
CID 112555394
N-(5-amino-3-methyl-2-pyridinyl)-2,6-difluoro-3-methylbenzamide
CID 115910717
N-(5-amino-3-methyl-2-pyridinyl)-5-bromo-2-fluorobenzamide
CID 112555441

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-3-methyl-2-pyridinyl)-2-iodobenzamide?
The IUPAC name of N-(5-amino-3-methyl-2-pyridinyl)-2-iodobenzamide (CID 112555395) is N-(5-amino-3-methyl-2-pyridinyl)-2-iodobenzamide.
What is the SMILES notation for N-(5-amino-3-methyl-2-pyridinyl)-2-iodobenzamide?
The canonical SMILES for N-(5-amino-3-methyl-2-pyridinyl)-2-iodobenzamide is Cc1cc(N)cnc1NC(=O)c1ccccc1I.
What is the InChIKey of N-(5-amino-3-methyl-2-pyridinyl)-2-iodobenzamide?
The InChIKey is NFHSTGRXZDMRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12IN3O/c1-8-6-9(15)7-16-12(8)17-13(18)10-4-2-3-5-11(10)14/h2-7H,15H2,1H3,(H,16,17,18).
What are the key properties of N-(5-amino-3-methyl-2-pyridinyl)-2-iodobenzamide?
N-(5-amino-3-methyl-2-pyridinyl)-2-iodobenzamide has a molecular weight of 353.16 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-3-methyl-2-pyridinyl)-2-iodobenzamide is sourced from PubChem (CID 112555395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).