3-hydroxy-N-(2-methylphenyl)-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide

C20H23N3O2 — CID 3230874

IUPAC3-hydroxy-N-(2-methylphenyl)-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCc1ccccc1NC(=O)N1C2CCC1CC(O)(c1cccnc1)C2
InChIInChI=1S/C20H23N3O2/c1-14-5-2-3-7-18(14)22-19(24)23-16-8-9-17(23)12-20(25,11-16)15-6-4-10-21-13-15/h2-7,10,13,16-17,25H,8-9,11-12H2,1H3,(H,22,24)
InChIKeyIFCQGXWTEMMTRZ-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.44
Rot. Bonds2

About 3-hydroxy-N-(2-methylphenyl)-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide

3-hydroxy-N-(2-methylphenyl)-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 3230874) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-hydroxy-N-(2-methylphenyl)-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(2-methylphenyl)-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID3230874
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name3-hydroxy-N-(2-methylphenyl)-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCc1ccccc1NC(=O)N1C2CCC1CC(O)(c1cccnc1)C2
InChIInChI=1S/C20H23N3O2/c1-14-5-2-3-7-18(14)22-19(24)23-16-8-9-17(23)12-20(25,11-16)15-6-4-10-21-13-15/h2-7,10,13,16-17,25H,8-9,11-12H2,1H3,(H,22,24)
InChIKeyIFCQGXWTEMMTRZ-UHFFFAOYSA-N
XLogP3.44
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2-methylphenyl)-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of 3-hydroxy-N-(2-methylphenyl)-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 3230874) is 3-hydroxy-N-(2-methylphenyl)-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(2-methylphenyl)-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for 3-hydroxy-N-(2-methylphenyl)-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide is Cc1ccccc1NC(=O)N1C2CCC1CC(O)(c1cccnc1)C2.
What is the InChIKey of 3-hydroxy-N-(2-methylphenyl)-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is IFCQGXWTEMMTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-5-2-3-7-18(14)22-19(24)23-16-8-9-17(23)12-20(25,11-16)15-6-4-10-21-13-15/h2-7,10,13,16-17,25H,8-9,11-12H2,1H3,(H,22,24).
What are the key properties of 3-hydroxy-N-(2-methylphenyl)-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide?
3-hydroxy-N-(2-methylphenyl)-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(2-methylphenyl)-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 3230874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).