5-fluoro-6-[4-[1-(iodomethyl)cyclopropyl]phenoxy]-N-methylpyridine-3-carboxamide

C17H16FIN2O2 — CID 142414944

IUPAC5-fluoro-6-[4-[1-(iodomethyl)cyclopropyl]phenoxy]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Oc2ccc(C3(CI)CC3)cc2)c(F)c1
InChIInChI=1S/C17H16FIN2O2/c1-20-15(22)11-8-14(18)16(21-9-11)23-13-4-2-12(3-5-13)17(10-19)6-7-17/h2-5,8-9H,6-7,10H2,1H3,(H,20,22)
InChIKeyOUCQIHOLTVPYGY-UHFFFAOYSA-N
MW426.23 g/mol
LogP3.84
Rot. Bonds5

About 5-fluoro-6-[4-[1-(iodomethyl)cyclopropyl]phenoxy]-N-methylpyridine-3-carboxamide

5-fluoro-6-[4-[1-(iodomethyl)cyclopropyl]phenoxy]-N-methylpyridine-3-carboxamide (PubChem CID 142414944) has the molecular formula C17H16FIN2O2 and a molecular weight of 426.23 g/mol. Its IUPAC name is 5-fluoro-6-[4-[1-(iodomethyl)cyclopropyl]phenoxy]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-6-[4-[1-(iodomethyl)cyclopropyl]phenoxy]-N-methylpyridine-3-carboxamide
PubChem CID142414944
Molecular FormulaC17H16FIN2O2
Molecular Weight426.23 g/mol
Exact Mass426.02
IUPAC Name5-fluoro-6-[4-[1-(iodomethyl)cyclopropyl]phenoxy]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Oc2ccc(C3(CI)CC3)cc2)c(F)c1
InChIInChI=1S/C17H16FIN2O2/c1-20-15(22)11-8-14(18)16(21-9-11)23-13-4-2-12(3-5-13)17(10-19)6-7-17/h2-5,8-9H,6-7,10H2,1H3,(H,20,22)
InChIKeyOUCQIHOLTVPYGY-UHFFFAOYSA-N
XLogP3.84
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.23
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-[4-[1-(iodomethyl)cyclopropyl]phenoxy]-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-fluoro-6-[4-[1-(iodomethyl)cyclopropyl]phenoxy]-N-methylpyridine-3-carboxamide (CID 142414944) is 5-fluoro-6-[4-[1-(iodomethyl)cyclopropyl]phenoxy]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-6-[4-[1-(iodomethyl)cyclopropyl]phenoxy]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-6-[4-[1-(iodomethyl)cyclopropyl]phenoxy]-N-methylpyridine-3-carboxamide is CNC(=O)c1cnc(Oc2ccc(C3(CI)CC3)cc2)c(F)c1.
What is the InChIKey of 5-fluoro-6-[4-[1-(iodomethyl)cyclopropyl]phenoxy]-N-methylpyridine-3-carboxamide?
The InChIKey is OUCQIHOLTVPYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FIN2O2/c1-20-15(22)11-8-14(18)16(21-9-11)23-13-4-2-12(3-5-13)17(10-19)6-7-17/h2-5,8-9H,6-7,10H2,1H3,(H,20,22).
What are the key properties of 5-fluoro-6-[4-[1-(iodomethyl)cyclopropyl]phenoxy]-N-methylpyridine-3-carboxamide?
5-fluoro-6-[4-[1-(iodomethyl)cyclopropyl]phenoxy]-N-methylpyridine-3-carboxamide has a molecular weight of 426.23 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-[4-[1-(iodomethyl)cyclopropyl]phenoxy]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 142414944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).