N-(4-iodo-3-methoxyphenyl)pyridine-2-carboxamide

C13H11IN2O2 — CID 122187791

IUPACN-(4-iodo-3-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccccn2)ccc1I
InChIInChI=1S/C13H11IN2O2/c1-18-12-8-9(5-6-10(12)14)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17)
InChIKeyGZYXKOMOCPXRKT-UHFFFAOYSA-N
MW354.15 g/mol
LogP2.95
Rot. Bonds3

About N-(4-iodo-3-methoxyphenyl)pyridine-2-carboxamide

N-(4-iodo-3-methoxyphenyl)pyridine-2-carboxamide (PubChem CID 122187791) has the molecular formula C13H11IN2O2 and a molecular weight of 354.15 g/mol. Its IUPAC name is N-(4-iodo-3-methoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-iodo-3-methoxyphenyl)pyridine-2-carboxamide
PubChem CID122187791
Molecular FormulaC13H11IN2O2
Molecular Weight354.15 g/mol
Exact Mass353.99
IUPAC NameN-(4-iodo-3-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccccn2)ccc1I
InChIInChI=1S/C13H11IN2O2/c1-18-12-8-9(5-6-10(12)14)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17)
InChIKeyGZYXKOMOCPXRKT-UHFFFAOYSA-N
XLogP2.95
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.15
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-3-methoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of N-(4-iodo-3-methoxyphenyl)pyridine-2-carboxamide (CID 122187791) is N-(4-iodo-3-methoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-iodo-3-methoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for N-(4-iodo-3-methoxyphenyl)pyridine-2-carboxamide is COc1cc(NC(=O)c2ccccn2)ccc1I.
What is the InChIKey of N-(4-iodo-3-methoxyphenyl)pyridine-2-carboxamide?
The InChIKey is GZYXKOMOCPXRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IN2O2/c1-18-12-8-9(5-6-10(12)14)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17).
What are the key properties of N-(4-iodo-3-methoxyphenyl)pyridine-2-carboxamide?
N-(4-iodo-3-methoxyphenyl)pyridine-2-carboxamide has a molecular weight of 354.15 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-3-methoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 122187791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).