6-[4-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]phenoxy]-5-fluoro-N,N-dimethylpyridine-3-carboxamide

C21H23FN2O2 — CID 150923849

IUPAC6-[4-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]phenoxy]-5-fluoro-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cnc(Oc2ccc(C3C[C@@H]4CC[C@H]3C4)cc2)c(F)c1
InChIInChI=1S/C21H23FN2O2/c1-24(2)21(25)16-11-19(22)20(23-12-16)26-17-7-5-14(6-8-17)18-10-13-3-4-15(18)9-13/h5-8,11-13,15,18H,3-4,9-10H2,1-2H3/t13-,15+,18?/m1/s1
InChIKeyLEPCZKCMENIGFA-PWXCZCIESA-N
MW354.43 g/mol
LogP4.62
Rot. Bonds4

About 6-[4-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]phenoxy]-5-fluoro-N,N-dimethylpyridine-3-carboxamide

6-[4-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]phenoxy]-5-fluoro-N,N-dimethylpyridine-3-carboxamide (PubChem CID 150923849) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is 6-[4-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]phenoxy]-5-fluoro-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]phenoxy]-5-fluoro-N,N-dimethylpyridine-3-carboxamide
PubChem CID150923849
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name6-[4-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]phenoxy]-5-fluoro-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cnc(Oc2ccc(C3C[C@@H]4CC[C@H]3C4)cc2)c(F)c1
InChIInChI=1S/C21H23FN2O2/c1-24(2)21(25)16-11-19(22)20(23-12-16)26-17-7-5-14(6-8-17)18-10-13-3-4-15(18)9-13/h5-8,11-13,15,18H,3-4,9-10H2,1-2H3/t13-,15+,18?/m1/s1
InChIKeyLEPCZKCMENIGFA-PWXCZCIESA-N
XLogP4.62
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-[4-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]phenoxy]-5-fluoro-N,N-dimethylpyridine-3-carboxamide with MolForge

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Related Compounds

6-[4-(2-bicyclo[2.2.1]heptanyl)phenoxy]-5-fluoro-N-methylpyridine-3-carboxamide
CID 146325617
6-(4-cyclohexylphenoxy)-5-fluoropyridine-3-carboxylic acid
CID 135313098
ethyl 4-[4-(2-bicyclo[2.2.1]heptanyl)phenoxy]benzoate
CID 146325411
(1R,2R,4S)-2-(4-methoxyphenyl)bicyclo[2.2.1]heptane
CID 101158229
4-(4-cycloheptylphenoxy)-3-fluoro-N,N-dimethylbenzamide
CID 142415067
5-fluoro-6-(4-propan-2-ylphenoxy)pyridine-3-carboxamide
CID 146305979
6-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N,N-dimethylpyridine-3-carboxamide
CID 79764561
4-(4-cyclopropylphenoxy)-N,N-dimethylbenzamide
CID 142415331
3-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]-N,N-dimethylbenzamide
CID 70660969
4-[4-(2-bicyclo[2.2.2]octanyl)phenoxy]-N-hydroxybenzamide
CID 146325651
methyl 5-fluoro-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
CID 146305884
trans-(1S,2S)-2-[4-[[(1R)-4-[4-(dimethylcarbamoyl)phenoxy]-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]cyclopropane-1-carboxylic acid
CID 118099632

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]phenoxy]-5-fluoro-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[4-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]phenoxy]-5-fluoro-N,N-dimethylpyridine-3-carboxamide (CID 150923849) is 6-[4-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]phenoxy]-5-fluoro-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]phenoxy]-5-fluoro-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[4-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]phenoxy]-5-fluoro-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1cnc(Oc2ccc(C3C[C@@H]4CC[C@H]3C4)cc2)c(F)c1.
What is the InChIKey of 6-[4-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]phenoxy]-5-fluoro-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is LEPCZKCMENIGFA-PWXCZCIESA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-24(2)21(25)16-11-19(22)20(23-12-16)26-17-7-5-14(6-8-17)18-10-13-3-4-15(18)9-13/h5-8,11-13,15,18H,3-4,9-10H2,1-2H3/t13-,15+,18?/m1/s1.
What are the key properties of 6-[4-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]phenoxy]-5-fluoro-N,N-dimethylpyridine-3-carboxamide?
6-[4-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]phenoxy]-5-fluoro-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]phenoxy]-5-fluoro-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 150923849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).