N-(4-iodophenyl)-3-methylpyridine-2-carboxamide

C13H11IN2O — CID 62339482

IUPACN-(4-iodophenyl)-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C13H11IN2O/c1-9-3-2-8-15-12(9)13(17)16-11-6-4-10(14)5-7-11/h2-8H,1H3,(H,16,17)
InChIKeyREIZTHDBMJYHTO-UHFFFAOYSA-N
MW338.15 g/mol
LogP3.25
Rot. Bonds2

About N-(4-iodophenyl)-3-methylpyridine-2-carboxamide

N-(4-iodophenyl)-3-methylpyridine-2-carboxamide (PubChem CID 62339482) has the molecular formula C13H11IN2O and a molecular weight of 338.15 g/mol. Its IUPAC name is N-(4-iodophenyl)-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-3-methylpyridine-2-carboxamide
PubChem CID62339482
Molecular FormulaC13H11IN2O
Molecular Weight338.15 g/mol
Exact Mass337.99
IUPAC NameN-(4-iodophenyl)-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C13H11IN2O/c1-9-3-2-8-15-12(9)13(17)16-11-6-4-10(14)5-7-11/h2-8H,1H3,(H,16,17)
InChIKeyREIZTHDBMJYHTO-UHFFFAOYSA-N
XLogP3.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.15
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-3-methylphenyl)-3-methylpyridine-2-carboxamide
CID 62338956
N-(6-bromo-3-pyridinyl)-3-methylpyridine-2-carboxamide
CID 103789491
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylpyridine-2-carboxamide
CID 166215509
3-methyl-N-[4-(sulfamoylmethyl)phenyl]pyridine-2-carboxamide
CID 62340011
N-[4-[(cyclopropylamino)methyl]phenyl]-3-methylpyridine-2-carboxamide
CID 106910544
3-amino-N-(4-iodophenyl)pyrazine-2-carboxamide
CID 46525550
3-methyl-N-(3-methyl-4-sulfamoylphenyl)pyridine-2-carboxamide
CID 62339318
3-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 107517768
N-(3-cyano-4-fluorophenyl)-3-methylpyridine-2-carboxamide
CID 62340831
N-(3-chloro-4-sulfamoylphenyl)-3-methylpyridine-2-carboxamide
CID 62339142
3-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 115680590
3-methyl-N-[3-(methylaminomethyl)phenyl]pyridine-2-carboxamide
CID 55060469

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-3-methylpyridine-2-carboxamide?
The IUPAC name of N-(4-iodophenyl)-3-methylpyridine-2-carboxamide (CID 62339482) is N-(4-iodophenyl)-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(4-iodophenyl)-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-(4-iodophenyl)-3-methylpyridine-2-carboxamide is Cc1cccnc1C(=O)Nc1ccc(I)cc1.
What is the InChIKey of N-(4-iodophenyl)-3-methylpyridine-2-carboxamide?
The InChIKey is REIZTHDBMJYHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IN2O/c1-9-3-2-8-15-12(9)13(17)16-11-6-4-10(14)5-7-11/h2-8H,1H3,(H,16,17).
What are the key properties of N-(4-iodophenyl)-3-methylpyridine-2-carboxamide?
N-(4-iodophenyl)-3-methylpyridine-2-carboxamide has a molecular weight of 338.15 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 62339482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).