N-(2-iodophenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide

C14H10IN5O — CID 22586966

IUPACN-(2-iodophenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1I)c1cccc(-n2cnnc2)n1
InChIInChI=1S/C14H10IN5O/c15-10-4-1-2-5-11(10)19-14(21)12-6-3-7-13(18-12)20-8-16-17-9-20/h1-9H,(H,19,21)
InChIKeyASMQLGFEYNHSBH-UHFFFAOYSA-N
MW391.17 g/mol
LogP2.52
Rot. Bonds3

About N-(2-iodophenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide

N-(2-iodophenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide (PubChem CID 22586966) has the molecular formula C14H10IN5O and a molecular weight of 391.17 g/mol. Its IUPAC name is N-(2-iodophenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
PubChem CID22586966
Molecular FormulaC14H10IN5O
Molecular Weight391.17 g/mol
Exact Mass390.99
IUPAC NameN-(2-iodophenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1I)c1cccc(-n2cnnc2)n1
InChIInChI=1S/C14H10IN5O/c15-10-4-1-2-5-11(10)19-14(21)12-6-3-7-13(18-12)20-8-16-17-9-20/h1-9H,(H,19,21)
InChIKeyASMQLGFEYNHSBH-UHFFFAOYSA-N
XLogP2.52
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.17
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyphenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 22586956
N-(2-iodophenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
CID 6497093
N-(4-methylphenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 22586962
N-(2-iodophenyl)-6-methylpyridine-2-carboxamide
CID 31700169
6-imidazol-1-yl-N-(3-iodo-2-methylphenyl)pyridine-2-carboxamide
CID 166206985
N-(1-methylimidazol-2-yl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 134707369
N-[5-[(2R)-butan-2-yl]-2-hydroxyphenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 29344600
N-(1-benzylpyrazol-4-yl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 134712672
N-[4-(benzylcarbamoyl)phenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 22587016
N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 22586990
6-imidazol-1-yl-N-(2-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 166481480
6-imidazol-1-yl-N-phenylpyridine-2-carboxamide
CID 97260029

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-(2-iodophenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide (CID 22586966) is N-(2-iodophenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-iodophenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-iodophenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide is O=C(Nc1ccccc1I)c1cccc(-n2cnnc2)n1.
What is the InChIKey of N-(2-iodophenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
The InChIKey is ASMQLGFEYNHSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10IN5O/c15-10-4-1-2-5-11(10)19-14(21)12-6-3-7-13(18-12)20-8-16-17-9-20/h1-9H,(H,19,21).
What are the key properties of N-(2-iodophenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
N-(2-iodophenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide has a molecular weight of 391.17 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 22586966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).