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

C12H10IN3O — CID 43144556

IUPACN-(5-amino-2-pyridinyl)-3-iodobenzamide
SMILESNc1ccc(NC(=O)c2cccc(I)c2)nc1
InChIInChI=1S/C12H10IN3O/c13-9-3-1-2-8(6-9)12(17)16-11-5-4-10(14)7-15-11/h1-7H,14H2,(H,15,16,17)
InChIKeyHKVSRXMHAVPHIK-UHFFFAOYSA-N
MW339.14 g/mol
LogP2.52
Rot. Bonds2

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

N-(5-amino-2-pyridinyl)-3-iodobenzamide (PubChem CID 43144556) has the molecular formula C12H10IN3O and a molecular weight of 339.14 g/mol. Its IUPAC name is N-(5-amino-2-pyridinyl)-3-iodobenzamide.

Molecular Properties

Compound NameN-(5-amino-2-pyridinyl)-3-iodobenzamide
PubChem CID43144556
Molecular FormulaC12H10IN3O
Molecular Weight339.14 g/mol
Exact Mass338.99
IUPAC NameN-(5-amino-2-pyridinyl)-3-iodobenzamide
SMILESNc1ccc(NC(=O)c2cccc(I)c2)nc1
InChIInChI=1S/C12H10IN3O/c13-9-3-1-2-8(6-9)12(17)16-11-5-4-10(14)7-15-11/h1-7H,14H2,(H,15,16,17)
InChIKeyHKVSRXMHAVPHIK-UHFFFAOYSA-N
XLogP2.52
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.14
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-pyridinyl)-3-bromobenzamide
CID 43144581
N-(5-amino-2-pyridinyl)benzamide;methane
CID 158297207
N-(5-amino-3-methyl-2-pyridinyl)-3-iodobenzamide
CID 112555248
N-(5-amino-2-pyridinyl)-3,4-dimethoxybenzamide
CID 43144619
N-(5-amino-2-pyridinyl)-5-fluoropyridine-3-carboxamide
CID 104785368
3-cyano-N-(5-iodo-2-pyridinyl)benzamide
CID 65098930
3-iodo-N-pyrimidin-5-ylbenzamide
CID 104856856
N-(5-amino-2-pyridinyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 115273678
N-(5-iodo-2-pyridinyl)naphthalene-2-carboxamide
CID 60674580
N-(5-ethyl-1H-pyrazol-3-yl)-3-iodobenzamide
CID 47423222
3-iodo-N-(2,4,5-trichlorophenyl)benzamide
CID 3408530
3-iodo-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2116508

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-pyridinyl)-3-iodobenzamide?
The IUPAC name of N-(5-amino-2-pyridinyl)-3-iodobenzamide (CID 43144556) is N-(5-amino-2-pyridinyl)-3-iodobenzamide.
What is the SMILES notation for N-(5-amino-2-pyridinyl)-3-iodobenzamide?
The canonical SMILES for N-(5-amino-2-pyridinyl)-3-iodobenzamide is Nc1ccc(NC(=O)c2cccc(I)c2)nc1.
What is the InChIKey of N-(5-amino-2-pyridinyl)-3-iodobenzamide?
The InChIKey is HKVSRXMHAVPHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10IN3O/c13-9-3-1-2-8(6-9)12(17)16-11-5-4-10(14)7-15-11/h1-7H,14H2,(H,15,16,17).
What are the key properties of N-(5-amino-2-pyridinyl)-3-iodobenzamide?
N-(5-amino-2-pyridinyl)-3-iodobenzamide has a molecular weight of 339.14 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-pyridinyl)-3-iodobenzamide is sourced from PubChem (CID 43144556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).