N-(3-amino-4-pyridinyl)-2-iodobenzamide

C12H10IN3O — CID 63061561

IUPACN-(3-amino-4-pyridinyl)-2-iodobenzamide
SMILESNc1cnccc1NC(=O)c1ccccc1I
InChIInChI=1S/C12H10IN3O/c13-9-4-2-1-3-8(9)12(17)16-11-5-6-15-7-10(11)14/h1-7H,14H2,(H,15,16,17)
InChIKeyKBRJFUFYXSPFNQ-UHFFFAOYSA-N
MW339.14 g/mol
LogP2.52
Rot. Bonds2

About N-(3-amino-4-pyridinyl)-2-iodobenzamide

N-(3-amino-4-pyridinyl)-2-iodobenzamide (PubChem CID 63061561) has the molecular formula C12H10IN3O and a molecular weight of 339.14 g/mol. Its IUPAC name is N-(3-amino-4-pyridinyl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(3-amino-4-pyridinyl)-2-iodobenzamide
PubChem CID63061561
Molecular FormulaC12H10IN3O
Molecular Weight339.14 g/mol
Exact Mass338.99
IUPAC NameN-(3-amino-4-pyridinyl)-2-iodobenzamide
SMILESNc1cnccc1NC(=O)c1ccccc1I
InChIInChI=1S/C12H10IN3O/c13-9-4-2-1-3-8(9)12(17)16-11-5-6-15-7-10(11)14/h1-7H,14H2,(H,15,16,17)
InChIKeyKBRJFUFYXSPFNQ-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-(4-chloro-3-pyridinyl)-2-iodobenzamide
CID 78965019
2-amino-N-(3-fluoro-4-pyridinyl)benzamide
CID 107594598
N-(3-amino-4-pyridinyl)quinoline-5-carboxamide
CID 63062942
N-(3-amino-4-pyridinyl)-2,6-dihydroxybenzamide
CID 107687654
N-(3-amino-4-pyridinyl)-2,4-dimethylbenzamide
CID 63062252
N-(3-amino-4-pyridinyl)-2-chloro-5-hydroxybenzamide
CID 106500113
N-(3-amino-4-pyridinyl)-2-bromofuran-3-carboxamide
CID 106850810
1-(3-amino-4-pyridinyl)-3-phenylurea
CID 63061923
3-amino-N-(2-chlorophenyl)pyridine-4-carboxamide
CID 23633071
N-(3-amino-4-pyridinyl)-4-tert-butylbenzamide
CID 63063621
N-(3-amino-4-pyridinyl)-1H-pyrazole-4-carboxamide
CID 63084907
N-(3-amino-4-pyridinyl)-3,4-difluorobenzamide
CID 63061741

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-pyridinyl)-2-iodobenzamide?
The IUPAC name of N-(3-amino-4-pyridinyl)-2-iodobenzamide (CID 63061561) is N-(3-amino-4-pyridinyl)-2-iodobenzamide.
What is the SMILES notation for N-(3-amino-4-pyridinyl)-2-iodobenzamide?
The canonical SMILES for N-(3-amino-4-pyridinyl)-2-iodobenzamide is Nc1cnccc1NC(=O)c1ccccc1I.
What is the InChIKey of N-(3-amino-4-pyridinyl)-2-iodobenzamide?
The InChIKey is KBRJFUFYXSPFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10IN3O/c13-9-4-2-1-3-8(9)12(17)16-11-5-6-15-7-10(11)14/h1-7H,14H2,(H,15,16,17).
What are the key properties of N-(3-amino-4-pyridinyl)-2-iodobenzamide?
N-(3-amino-4-pyridinyl)-2-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-(3-amino-4-pyridinyl)-2-iodobenzamide is sourced from PubChem (CID 63061561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).