N-(3-fluorophenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide

C19H20FN3O2 — CID 3230885

IUPACN-(3-fluorophenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1C2CCC1CC(O)(c1cccnc1)C2
InChIInChI=1S/C19H20FN3O2/c20-14-4-1-5-15(9-14)22-18(24)23-16-6-7-17(23)11-19(25,10-16)13-3-2-8-21-12-13/h1-5,8-9,12,16-17,25H,6-7,10-11H2,(H,22,24)
InChIKeyWSYIAUKHQNMVFL-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.27
Rot. Bonds2

About N-(3-fluorophenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide

N-(3-fluorophenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 3230885) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID3230885
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC NameN-(3-fluorophenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1C2CCC1CC(O)(c1cccnc1)C2
InChIInChI=1S/C19H20FN3O2/c20-14-4-1-5-15(9-14)22-18(24)23-16-6-7-17(23)11-19(25,10-16)13-3-2-8-21-12-13/h1-5,8-9,12,16-17,25H,6-7,10-11H2,(H,22,24)
InChIKeyWSYIAUKHQNMVFL-UHFFFAOYSA-N
XLogP3.27
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 3230875
2-Phenyl-1,1-di(pyridin-3-yl)-2-(pyrrolidin-1-yl)ethanol
CID 11573765
N-(4-tert-butylphenyl)-4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 25104369
3-Hydroxy-3-pyridin-3-yl-8-aza-bicyclo[3.2.1]octane-8-carboxylic acid o-tolylamide
CID 3230874
N-(4-acetylphenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 3230880
4-benzyl-4-hydroxy-N-(1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)piperidin-4-yl)piperidine-1-carboxamide
CID 45273783
4-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoropyridin-2-yl]-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 57770445
4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoropyridin-2-yl]-N-[3-fluoro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 57770450
4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoropyridin-2-yl]-4-fluoro-N-[3-fluoro-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 57770479
4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoropyridin-2-yl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 57770496
4-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoropyridin-2-yl]-4-fluoro-N-[3-fluoro-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 57770520
3-Hydroxy-3-pyridin-3-yl-8-aza-bicyclo[3.2.1]octane-8-carboxylic acid (3-acetyl-phenyl)-amide
CID 646843

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 3230885) is N-(3-fluorophenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide is O=C(Nc1cccc(F)c1)N1C2CCC1CC(O)(c1cccnc1)C2.
What is the InChIKey of N-(3-fluorophenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is WSYIAUKHQNMVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c20-14-4-1-5-15(9-14)22-18(24)23-16-6-7-17(23)11-19(25,10-16)13-3-2-8-21-12-13/h1-5,8-9,12,16-17,25H,6-7,10-11H2,(H,22,24).
What are the key properties of N-(3-fluorophenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide?
N-(3-fluorophenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 3230885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).