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

C21H23N3O3 — CID 646843

IUPACN-(3-acetylphenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCC(=O)c1cccc(NC(=O)N2C3CCC2CC(O)(c2cccnc2)C3)c1
InChIInChI=1S/C21H23N3O3/c1-14(25)15-4-2-6-17(10-15)23-20(26)24-18-7-8-19(24)12-21(27,11-18)16-5-3-9-22-13-16/h2-6,9-10,13,18-19,27H,7-8,11-12H2,1H3,(H,23,26)
InChIKeyOCCYGENKRRZWOM-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.33
Rot. Bonds3

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

N-(3-acetylphenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 646843) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID646843
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-(3-acetylphenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCC(=O)c1cccc(NC(=O)N2C3CCC2CC(O)(c2cccnc2)C3)c1
InChIInChI=1S/C21H23N3O3/c1-14(25)15-4-2-6-17(10-15)23-20(26)24-18-7-8-19(24)12-21(27,11-18)16-5-3-9-22-13-16/h2-6,9-10,13,18-19,27H,7-8,11-12H2,1H3,(H,23,26)
InChIKeyOCCYGENKRRZWOM-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

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 646843) is N-(3-acetylphenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide is CC(=O)c1cccc(NC(=O)N2C3CCC2CC(O)(c2cccnc2)C3)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is OCCYGENKRRZWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14(25)15-4-2-6-17(10-15)23-20(26)24-18-7-8-19(24)12-21(27,11-18)16-5-3-9-22-13-16/h2-6,9-10,13,18-19,27H,7-8,11-12H2,1H3,(H,23,26).
What are the key properties of N-(3-acetylphenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide?
N-(3-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-(3-acetylphenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 646843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).