6-[(3-fluorophenyl)methoxy]-N-[1-(iodoamino)-1-oxopropan-2-yl]pyridine-3-carboxamide

C16H15FIN3O3 — CID 87552135

IUPAC6-[(3-fluorophenyl)methoxy]-N-[1-(iodoamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(OCc2cccc(F)c2)nc1)C(=O)NI
InChIInChI=1S/C16H15FIN3O3/c1-10(15(22)21-18)20-16(23)12-5-6-14(19-8-12)24-9-11-3-2-4-13(17)7-11/h2-8,10H,9H2,1H3,(H,20,23)(H,21,22)
InChIKeyBURZGOVOODGPEM-UHFFFAOYSA-N
MW443.22 g/mol
LogP2.38
Rot. Bonds6

About 6-[(3-fluorophenyl)methoxy]-N-[1-(iodoamino)-1-oxopropan-2-yl]pyridine-3-carboxamide

6-[(3-fluorophenyl)methoxy]-N-[1-(iodoamino)-1-oxopropan-2-yl]pyridine-3-carboxamide (PubChem CID 87552135) has the molecular formula C16H15FIN3O3 and a molecular weight of 443.22 g/mol. Its IUPAC name is 6-[(3-fluorophenyl)methoxy]-N-[1-(iodoamino)-1-oxopropan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3-fluorophenyl)methoxy]-N-[1-(iodoamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
PubChem CID87552135
Molecular FormulaC16H15FIN3O3
Molecular Weight443.22 g/mol
Exact Mass443.01
IUPAC Name6-[(3-fluorophenyl)methoxy]-N-[1-(iodoamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(OCc2cccc(F)c2)nc1)C(=O)NI
InChIInChI=1S/C16H15FIN3O3/c1-10(15(22)21-18)20-16(23)12-5-6-14(19-8-12)24-9-11-3-2-4-13(17)7-11/h2-8,10H,9H2,1H3,(H,20,23)(H,21,22)
InChIKeyBURZGOVOODGPEM-UHFFFAOYSA-N
XLogP2.38
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.22
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[(3-fluorophenyl)methoxy]-N-[1-(iodoamino)-1-oxopropan-2-yl]pyridine-3-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

6-[(3-fluorophenyl)methoxy]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]pyridine-3-carboxamide
CID 58368200
N-(1-cyclopropylethyl)-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 76736087
N-[(1R)-1-cyclobutylethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 58368103
N-(3-fluorophenyl)-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 58368181
6-[(3-fluorophenyl)methoxy]-N-[1-(oxan-2-yl)ethyl]pyridine-3-carboxamide
CID 58368122
N-(2-amino-2-oxoethyl)-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 10286337
N-[(1R)-1-(2,2-dimethyloxan-4-yl)ethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 58368082
N-[(1S)-2,2-dimethylcyclopentyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 58368249
6-[(3-fluorophenoxy)methyl]-N-propan-2-ylpyridine-3-carboxamide
CID 58533730
N-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3-[(3-fluorophenoxy)methyl]benzamide
CID 96547643
N-[1-oxo-1-(propylamino)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 42933993
N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 26029790

Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluorophenyl)methoxy]-N-[1-(iodoamino)-1-oxopropan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[(3-fluorophenyl)methoxy]-N-[1-(iodoamino)-1-oxopropan-2-yl]pyridine-3-carboxamide (CID 87552135) is 6-[(3-fluorophenyl)methoxy]-N-[1-(iodoamino)-1-oxopropan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(3-fluorophenyl)methoxy]-N-[1-(iodoamino)-1-oxopropan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[(3-fluorophenyl)methoxy]-N-[1-(iodoamino)-1-oxopropan-2-yl]pyridine-3-carboxamide is CC(NC(=O)c1ccc(OCc2cccc(F)c2)nc1)C(=O)NI.
What is the InChIKey of 6-[(3-fluorophenyl)methoxy]-N-[1-(iodoamino)-1-oxopropan-2-yl]pyridine-3-carboxamide?
The InChIKey is BURZGOVOODGPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FIN3O3/c1-10(15(22)21-18)20-16(23)12-5-6-14(19-8-12)24-9-11-3-2-4-13(17)7-11/h2-8,10H,9H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 6-[(3-fluorophenyl)methoxy]-N-[1-(iodoamino)-1-oxopropan-2-yl]pyridine-3-carboxamide?
6-[(3-fluorophenyl)methoxy]-N-[1-(iodoamino)-1-oxopropan-2-yl]pyridine-3-carboxamide has a molecular weight of 443.22 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluorophenyl)methoxy]-N-[1-(iodoamino)-1-oxopropan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 87552135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).