N-(2,6-dimethylphenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide

C21H25N3O2 — CID 3230875

IUPACN-(2,6-dimethylphenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCc1cccc(C)c1NC(=O)N1C2CCC1CC(O)(c1cccnc1)C2
InChIInChI=1S/C21H25N3O2/c1-14-5-3-6-15(2)19(14)23-20(25)24-17-8-9-18(24)12-21(26,11-17)16-7-4-10-22-13-16/h3-7,10,13,17-18,26H,8-9,11-12H2,1-2H3,(H,23,25)
InChIKeyHQVADHZGIZLPKB-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.74
Rot. Bonds2

About N-(2,6-dimethylphenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide

N-(2,6-dimethylphenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 3230875) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID3230875
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-(2,6-dimethylphenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCc1cccc(C)c1NC(=O)N1C2CCC1CC(O)(c1cccnc1)C2
InChIInChI=1S/C21H25N3O2/c1-14-5-3-6-15(2)19(14)23-20(25)24-17-8-9-18(24)12-21(26,11-17)16-7-4-10-22-13-16/h3-7,10,13,17-18,26H,8-9,11-12H2,1-2H3,(H,23,25)
InChIKeyHQVADHZGIZLPKB-UHFFFAOYSA-N
XLogP3.74
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 3230875) is N-(2,6-dimethylphenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide is Cc1cccc(C)c1NC(=O)N1C2CCC1CC(O)(c1cccnc1)C2.
What is the InChIKey of N-(2,6-dimethylphenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is HQVADHZGIZLPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-14-5-3-6-15(2)19(14)23-20(25)24-17-8-9-18(24)12-21(26,11-17)16-7-4-10-22-13-16/h3-7,10,13,17-18,26H,8-9,11-12H2,1-2H3,(H,23,25).
What are the key properties of N-(2,6-dimethylphenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide?
N-(2,6-dimethylphenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 3230875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).