2-amino-5-(4-bromo-3-iodoanilino)pyridine-4-carboxamide

C12H10BrIN4O — CID 114261361

IUPAC2-amino-5-(4-bromo-3-iodoanilino)pyridine-4-carboxamide
SMILESNC(=O)c1cc(N)ncc1Nc1ccc(Br)c(I)c1
InChIInChI=1S/C12H10BrIN4O/c13-8-2-1-6(3-9(8)14)18-10-5-17-11(15)4-7(10)12(16)19/h1-5,18H,(H2,15,17)(H2,16,19)
InChIKeyVGJCWMONSPMPJR-UHFFFAOYSA-N
MW433.05 g/mol
LogP2.87
Rot. Bonds3

About 2-amino-5-(4-bromo-3-iodoanilino)pyridine-4-carboxamide

2-amino-5-(4-bromo-3-iodoanilino)pyridine-4-carboxamide (PubChem CID 114261361) has the molecular formula C12H10BrIN4O and a molecular weight of 433.05 g/mol. Its IUPAC name is 2-amino-5-(4-bromo-3-iodoanilino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-(4-bromo-3-iodoanilino)pyridine-4-carboxamide
PubChem CID114261361
Molecular FormulaC12H10BrIN4O
Molecular Weight433.05 g/mol
Exact Mass431.91
IUPAC Name2-amino-5-(4-bromo-3-iodoanilino)pyridine-4-carboxamide
SMILESNC(=O)c1cc(N)ncc1Nc1ccc(Br)c(I)c1
InChIInChI=1S/C12H10BrIN4O/c13-8-2-1-6(3-9(8)14)18-10-5-17-11(15)4-7(10)12(16)19/h1-5,18H,(H2,15,17)(H2,16,19)
InChIKeyVGJCWMONSPMPJR-UHFFFAOYSA-N
XLogP2.87
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.05
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-(3-ethylanilino)pyridine-4-carboxamide
CID 114194765
2-amino-5-(5-iodo-2-methylanilino)pyridine-4-carboxamide
CID 114257930
3-amino-2-(4-bromo-3-iodoanilino)pyridine-4-carboxylic acid
CID 114261364
2-amino-5-[(2-bromophenyl)methylamino]pyridine-4-carboxamide
CID 114194887
2-amino-5-[(4-methyl-3-pyridinyl)amino]pyridine-4-carboxamide
CID 114195109
2-amino-5-(2-methoxyanilino)pyridine-4-carboxamide
CID 114194675
5-amino-2-(4-bromo-3-methylanilino)benzamide
CID 61306866
5-amino-2-(4-bromo-3-methoxyanilino)pyridine-3-carboxamide
CID 82857322
N-(4-bromo-3-iodophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 114261584
2-amino-5-(2-bromo-5-fluoroanilino)benzamide
CID 107637874
4-amino-2-(4-bromo-3-methoxyanilino)benzamide
CID 82858027
2-amino-5-(4-chloro-2-iodoanilino)benzamide
CID 107637821

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-bromo-3-iodoanilino)pyridine-4-carboxamide?
The IUPAC name of 2-amino-5-(4-bromo-3-iodoanilino)pyridine-4-carboxamide (CID 114261361) is 2-amino-5-(4-bromo-3-iodoanilino)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-(4-bromo-3-iodoanilino)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-(4-bromo-3-iodoanilino)pyridine-4-carboxamide is NC(=O)c1cc(N)ncc1Nc1ccc(Br)c(I)c1.
What is the InChIKey of 2-amino-5-(4-bromo-3-iodoanilino)pyridine-4-carboxamide?
The InChIKey is VGJCWMONSPMPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrIN4O/c13-8-2-1-6(3-9(8)14)18-10-5-17-11(15)4-7(10)12(16)19/h1-5,18H,(H2,15,17)(H2,16,19).
What are the key properties of 2-amino-5-(4-bromo-3-iodoanilino)pyridine-4-carboxamide?
2-amino-5-(4-bromo-3-iodoanilino)pyridine-4-carboxamide has a molecular weight of 433.05 g/mol, XLogP of 2.87, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-bromo-3-iodoanilino)pyridine-4-carboxamide is sourced from PubChem (CID 114261361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).