[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone

C20H22N2O2 — CID 98176880

IUPAC[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
SMILESCc1nc(-c2ccccc2)ccc1C(=O)N1[C@H]2CC[C@H]1CC(O)C2
InChIInChI=1S/C20H22N2O2/c1-13-18(9-10-19(21-13)14-5-3-2-4-6-14)20(24)22-15-7-8-16(22)12-17(23)11-15/h2-6,9-10,15-17,23H,7-8,11-12H2,1H3/t15-,16-/m0/s1
InChIKeyZNNYBTYBDXPYGB-HOTGVXAUSA-N
MW322.41 g/mol
LogP3.18
Rot. Bonds2

About [(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone

[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone (PubChem CID 98176880) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is [(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
PubChem CID98176880
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
SMILESCc1nc(-c2ccccc2)ccc1C(=O)N1[C@H]2CC[C@H]1CC(O)C2
InChIInChI=1S/C20H22N2O2/c1-13-18(9-10-19(21-13)14-5-3-2-4-6-14)20(24)22-15-7-8-16(22)12-17(23)11-15/h2-6,9-10,15-17,23H,7-8,11-12H2,1H3/t15-,16-/m0/s1
InChIKeyZNNYBTYBDXPYGB-HOTGVXAUSA-N
XLogP3.18
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone with MolForge

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Related Compounds

(4-hydroxypiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 110883923
(3-hydroxypiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 110883825
[4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 119518663
(4-cyclopentylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 55584701
[3-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 119594584
(3-aminopiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone;dihydrochloride
CID 119379268
[3-(methylamino)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 119490331
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(2-hydroxy-3-methylphenyl)methanone
CID 63764476
[2-(2-hydroxyethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 110887019
(2,3-dimethylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 120569390
N-cyclohexyl-2-methyl-6-phenylpyridine-3-carboxamide
CID 3410229
N-(2-amino-1-cyclopropylethyl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 119615030

Frequently Asked Questions

What is the IUPAC name of [(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone?
The IUPAC name of [(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone (CID 98176880) is [(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone.
What is the SMILES notation for [(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone?
The canonical SMILES for [(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone is Cc1nc(-c2ccccc2)ccc1C(=O)N1[C@H]2CC[C@H]1CC(O)C2.
What is the InChIKey of [(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone?
The InChIKey is ZNNYBTYBDXPYGB-HOTGVXAUSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-13-18(9-10-19(21-13)14-5-3-2-4-6-14)20(24)22-15-7-8-16(22)12-17(23)11-15/h2-6,9-10,15-17,23H,7-8,11-12H2,1H3/t15-,16-/m0/s1.
What are the key properties of [(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone?
[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone has a molecular weight of 322.41 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone is sourced from PubChem (CID 98176880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).