6-[4-(2-bicyclo[2.2.1]heptanyl)phenoxy]-5-fluoro-N-methylpyridine-3-carboxamide

C20H21FN2O2 — CID 146325617

IUPAC6-[4-(2-bicyclo[2.2.1]heptanyl)phenoxy]-5-fluoro-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Oc2ccc(C3CC4CCC3C4)cc2)c(F)c1
InChIInChI=1S/C20H21FN2O2/c1-22-19(24)15-10-18(21)20(23-11-15)25-16-6-4-13(5-7-16)17-9-12-2-3-14(17)8-12/h4-7,10-12,14,17H,2-3,8-9H2,1H3,(H,22,24)
InChIKeyMUJSVCRGCHHLNF-UHFFFAOYSA-N
MW340.40 g/mol
LogP4.28
Rot. Bonds4

About 6-[4-(2-bicyclo[2.2.1]heptanyl)phenoxy]-5-fluoro-N-methylpyridine-3-carboxamide

6-[4-(2-bicyclo[2.2.1]heptanyl)phenoxy]-5-fluoro-N-methylpyridine-3-carboxamide (PubChem CID 146325617) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 6-[4-(2-bicyclo[2.2.1]heptanyl)phenoxy]-5-fluoro-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(2-bicyclo[2.2.1]heptanyl)phenoxy]-5-fluoro-N-methylpyridine-3-carboxamide
PubChem CID146325617
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name6-[4-(2-bicyclo[2.2.1]heptanyl)phenoxy]-5-fluoro-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Oc2ccc(C3CC4CCC3C4)cc2)c(F)c1
InChIInChI=1S/C20H21FN2O2/c1-22-19(24)15-10-18(21)20(23-11-15)25-16-6-4-13(5-7-16)17-9-12-2-3-14(17)8-12/h4-7,10-12,14,17H,2-3,8-9H2,1H3,(H,22,24)
InChIKeyMUJSVCRGCHHLNF-UHFFFAOYSA-N
XLogP4.28
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[4-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]phenoxy]-5-fluoro-N,N-dimethylpyridine-3-carboxamide
CID 150923849
methyl 5-fluoro-6-[4-(2-tricyclo[3.3.1.03,7]nonanyl)phenoxy]pyridine-3-carboxylate
CID 142414927
5-fluoro-6-[4-[1-(iodomethyl)cyclopropyl]phenoxy]-N-methylpyridine-3-carboxamide
CID 142414944
6-(4-cyclopropylphenoxy)-5-fluoropyridine-3-carboxamide
CID 146305985
6-(4-cyclohexylphenoxy)-5-fluoropyridine-3-carboxylic acid
CID 135313098
ethyl 4-[4-(2-bicyclo[2.2.1]heptanyl)phenoxy]benzoate
CID 146325411
4-[4-(2-bicyclo[2.2.2]octanyl)phenoxy]-N-hydroxybenzamide
CID 146325651
(1R,2R,4S)-2-(4-methoxyphenyl)bicyclo[2.2.1]heptane
CID 101158229
methyl 5-fluoro-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
CID 146305884
5-fluoro-2-(4-fluorophenoxy)-N-methylpyridine-3-carboxamide
CID 142274034
5-fluoro-6-(4-propan-2-ylphenoxy)pyridine-3-carboxamide
CID 146305979
methyl 5-fluoro-6-[4-[1-(1,1,2,2,2-pentafluoroethyl)cyclopropyl]phenoxy]pyridine-3-carboxylate
CID 146325743

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-bicyclo[2.2.1]heptanyl)phenoxy]-5-fluoro-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-[4-(2-bicyclo[2.2.1]heptanyl)phenoxy]-5-fluoro-N-methylpyridine-3-carboxamide (CID 146325617) is 6-[4-(2-bicyclo[2.2.1]heptanyl)phenoxy]-5-fluoro-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(2-bicyclo[2.2.1]heptanyl)phenoxy]-5-fluoro-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[4-(2-bicyclo[2.2.1]heptanyl)phenoxy]-5-fluoro-N-methylpyridine-3-carboxamide is CNC(=O)c1cnc(Oc2ccc(C3CC4CCC3C4)cc2)c(F)c1.
What is the InChIKey of 6-[4-(2-bicyclo[2.2.1]heptanyl)phenoxy]-5-fluoro-N-methylpyridine-3-carboxamide?
The InChIKey is MUJSVCRGCHHLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-22-19(24)15-10-18(21)20(23-11-15)25-16-6-4-13(5-7-16)17-9-12-2-3-14(17)8-12/h4-7,10-12,14,17H,2-3,8-9H2,1H3,(H,22,24).
What are the key properties of 6-[4-(2-bicyclo[2.2.1]heptanyl)phenoxy]-5-fluoro-N-methylpyridine-3-carboxamide?
6-[4-(2-bicyclo[2.2.1]heptanyl)phenoxy]-5-fluoro-N-methylpyridine-3-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-bicyclo[2.2.1]heptanyl)phenoxy]-5-fluoro-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 146325617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).