5-[(4-iodophenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide

C17H13IN2O3 — CID 19417254

IUPAC5-[(4-iodophenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide
SMILESO=C(Nc1ccncc1)c1ccc(COc2ccc(I)cc2)o1
InChIInChI=1S/C17H13IN2O3/c18-12-1-3-14(4-2-12)22-11-15-5-6-16(23-15)17(21)20-13-7-9-19-10-8-13/h1-10H,11H2,(H,19,20,21)
InChIKeyZWHPCPGWQZXTSJ-UHFFFAOYSA-N
MW420.21 g/mol
LogP4.11
Rot. Bonds5

About 5-[(4-iodophenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide

5-[(4-iodophenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide (PubChem CID 19417254) has the molecular formula C17H13IN2O3 and a molecular weight of 420.21 g/mol. Its IUPAC name is 5-[(4-iodophenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(4-iodophenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide
PubChem CID19417254
Molecular FormulaC17H13IN2O3
Molecular Weight420.21 g/mol
Exact Mass420.00
IUPAC Name5-[(4-iodophenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide
SMILESO=C(Nc1ccncc1)c1ccc(COc2ccc(I)cc2)o1
InChIInChI=1S/C17H13IN2O3/c18-12-1-3-14(4-2-12)22-11-15-5-6-16(23-15)17(21)20-13-7-9-19-10-8-13/h1-10H,11H2,(H,19,20,21)
InChIKeyZWHPCPGWQZXTSJ-UHFFFAOYSA-N
XLogP4.11
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.21
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[(4-iodophenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(4-acetylphenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide
CID 19455200
5-[(4-chlorophenoxy)methyl]-N-(4-iodophenyl)furan-2-carboxamide
CID 126206502
5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]-N-pyridin-4-ylfuran-2-carboxamide
CID 19455416
N-(2-cyanophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
CID 19440079
5-[(4-methylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 7454734
N-(3,4-dimethylphenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 18830628
N-(4-acetamidophenyl)-5-[(4-acetylphenoxy)methyl]furan-2-carboxamide
CID 19455187
5-[(4-iodophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19417296
5-(aminomethyl)-N-pyridin-4-ylfuran-2-carboxamide;dihydrochloride
CID 69452250
5-[(4-fluorophenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 27228908
N-(2-hydroxy-4-nitrophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
CID 19446067
5-[(3,4-dimethylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 19450839

Frequently Asked Questions

What is the IUPAC name of 5-[(4-iodophenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide?
The IUPAC name of 5-[(4-iodophenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide (CID 19417254) is 5-[(4-iodophenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide.
What is the SMILES notation for 5-[(4-iodophenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide?
The canonical SMILES for 5-[(4-iodophenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide is O=C(Nc1ccncc1)c1ccc(COc2ccc(I)cc2)o1.
What is the InChIKey of 5-[(4-iodophenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide?
The InChIKey is ZWHPCPGWQZXTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13IN2O3/c18-12-1-3-14(4-2-12)22-11-15-5-6-16(23-15)17(21)20-13-7-9-19-10-8-13/h1-10H,11H2,(H,19,20,21).
What are the key properties of 5-[(4-iodophenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide?
5-[(4-iodophenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide has a molecular weight of 420.21 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-iodophenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide is sourced from PubChem (CID 19417254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).