N-[(3-iodophenyl)methyl]pyridine-3-carboxamide

C13H11IN2O — CID 125490904

IUPACN-[(3-iodophenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cccc(I)c1)c1cccnc1
InChIInChI=1S/C13H11IN2O/c14-12-5-1-3-10(7-12)8-16-13(17)11-4-2-6-15-9-11/h1-7,9H,8H2,(H,16,17)
InChIKeyMBJYLWXLUDAWBE-UHFFFAOYSA-N
MW338.15 g/mol
LogP2.62
Rot. Bonds3

About N-[(3-iodophenyl)methyl]pyridine-3-carboxamide

N-[(3-iodophenyl)methyl]pyridine-3-carboxamide (PubChem CID 125490904) has the molecular formula C13H11IN2O and a molecular weight of 338.15 g/mol. Its IUPAC name is N-[(3-iodophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-iodophenyl)methyl]pyridine-3-carboxamide
PubChem CID125490904
Molecular FormulaC13H11IN2O
Molecular Weight338.15 g/mol
Exact Mass337.99
IUPAC NameN-[(3-iodophenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cccc(I)c1)c1cccnc1
InChIInChI=1S/C13H11IN2O/c14-12-5-1-3-10(7-12)8-16-13(17)11-4-2-6-15-9-11/h1-7,9H,8H2,(H,16,17)
InChIKeyMBJYLWXLUDAWBE-UHFFFAOYSA-N
XLogP2.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.15
LogP ≤ 52.62
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-benzylpyridine-3-carboxamide chloride
CID 21204170
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
N-[(3-carbamothioylphenyl)methyl]pyridine-3-carboxamide
CID 62311611
N-[3-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926411
N-[[3-(propanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926394
3-(pyridin-3-ylmethylcarbamoyl)benzoic acid
CID 43452921
N-[3-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926353
N-[(4-carbamoylphenyl)methyl]pyridine-3-carboxamide
CID 108766189
N-[(3-iodophenyl)methyl]-3-[3-(3-iodophenyl)propanoyl]benzamide
CID 157332713
N-[3-[(thiophene-2-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926382
N-[[4-(2-aminoethyl)phenyl]methyl]pyridine-3-carboxamide
CID 62502833
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359

Frequently Asked Questions

What is the IUPAC name of N-[(3-iodophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[(3-iodophenyl)methyl]pyridine-3-carboxamide (CID 125490904) is N-[(3-iodophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3-iodophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(3-iodophenyl)methyl]pyridine-3-carboxamide is O=C(NCc1cccc(I)c1)c1cccnc1.
What is the InChIKey of N-[(3-iodophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is MBJYLWXLUDAWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IN2O/c14-12-5-1-3-10(7-12)8-16-13(17)11-4-2-6-15-9-11/h1-7,9H,8H2,(H,16,17).
What are the key properties of N-[(3-iodophenyl)methyl]pyridine-3-carboxamide?
N-[(3-iodophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 338.15 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-iodophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 125490904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).