N-(4-acetylphenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide

C21H23N3O3 — CID 3230880

IUPACN-(4-acetylphenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2C3CCC2CC(O)(c2cccnc2)C3)cc1
InChIInChI=1S/C21H23N3O3/c1-14(25)15-4-6-17(7-5-15)23-20(26)24-18-8-9-19(24)12-21(27,11-18)16-3-2-10-22-13-16/h2-7,10,13,18-19,27H,8-9,11-12H2,1H3,(H,23,26)
InChIKeySKIBXTJEPBLUCD-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.33
Rot. Bonds3

About N-(4-acetylphenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide

N-(4-acetylphenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 3230880) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID3230880
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-(4-acetylphenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2C3CCC2CC(O)(c2cccnc2)C3)cc1
InChIInChI=1S/C21H23N3O3/c1-14(25)15-4-6-17(7-5-15)23-20(26)24-18-8-9-19(24)12-21(27,11-18)16-3-2-10-22-13-16/h2-7,10,13,18-19,27H,8-9,11-12H2,1H3,(H,23,26)
InChIKeySKIBXTJEPBLUCD-UHFFFAOYSA-N
XLogP3.33
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-acetylphenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide with MolForge

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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
3-Hydroxy-3-pyridin-3-yl-8-aza-bicyclo[3.2.1]octane-8-carboxylic acid o-tolylamide
CID 3230874
N-(3-fluorophenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 3230885
3-Hydroxy-3-pyridin-3-yl-8-aza-bicyclo[3.2.1]octane-8-carboxylic acid (3-acetyl-phenyl)-amide
CID 646843
3-Hydroxy-3-pyridin-3-yl-8-aza-bicyclo[3.2.1]octane-8-carboxylic acid propylamide
CID 648116
3-Hydroxy-3-pyridin-3-yl-8-aza-bicyclo[3.2.1]octane-8-carboxylic acid phenylamide
CID 3230872
[3-(4-Fluoro-phenyl)-3-hydroxy-8-aza-bicyclo[3.2.1]oct-8-yl]-pyridin-3-yl-methanone
CID 650461
4'-Hydroxy-3',4',5',6'-tetrahydro-2'H-[3,4']bipyridinyl-1'-carboxylic acid p-tolylamide
CID 1446433
Methyl 4-[(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)amino]benzoate
CID 1446442
3-hydroxy-3-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 3230896
3-hydroxy-3-pyridin-3-yl-N-[2-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 3230883
N-(2,4-difluorophenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 3230895

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 3230880) is N-(4-acetylphenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide is CC(=O)c1ccc(NC(=O)N2C3CCC2CC(O)(c2cccnc2)C3)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is SKIBXTJEPBLUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14(25)15-4-6-17(7-5-15)23-20(26)24-18-8-9-19(24)12-21(27,11-18)16-3-2-10-22-13-16/h2-7,10,13,18-19,27H,8-9,11-12H2,1H3,(H,23,26).
What are the key properties of N-(4-acetylphenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide?
N-(4-acetylphenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 3230880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).