2-[(1S,5S)-3-hydroxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl]-N-propan-2-ylacetamide

C17H25N3O2 — CID 98066429

IUPAC2-[(1S,5S)-3-hydroxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1[C@H]2CC[C@H]1CC(O)(c1ccccn1)C2
InChIInChI=1S/C17H25N3O2/c1-12(2)19-16(21)11-20-13-6-7-14(20)10-17(22,9-13)15-5-3-4-8-18-15/h3-5,8,12-14,22H,6-7,9-11H2,1-2H3,(H,19,21)/t13-,14-/m0/s1
InChIKeyJQKBSKDFIBGUFR-KBPBESRZSA-N
MW303.41 g/mol
LogP1.42
Rot. Bonds4

About 2-[(1S,5S)-3-hydroxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl]-N-propan-2-ylacetamide

2-[(1S,5S)-3-hydroxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl]-N-propan-2-ylacetamide (PubChem CID 98066429) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[(1S,5S)-3-hydroxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(1S,5S)-3-hydroxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl]-N-propan-2-ylacetamide
PubChem CID98066429
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-[(1S,5S)-3-hydroxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1[C@H]2CC[C@H]1CC(O)(c1ccccn1)C2
InChIInChI=1S/C17H25N3O2/c1-12(2)19-16(21)11-20-13-6-7-14(20)10-17(22,9-13)15-5-3-4-8-18-15/h3-5,8,12-14,22H,6-7,9-11H2,1-2H3,(H,19,21)/t13-,14-/m0/s1
InChIKeyJQKBSKDFIBGUFR-KBPBESRZSA-N
XLogP1.42
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(1S,5S)-3-hydroxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl]-N-propan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,5R)-8-methyl-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 54305859
2-[3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-N-pyridin-2-ylacetamide
CID 16669453
2-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]-N-(2-methylcyclohexyl)acetamide
CID 16669468
2-[(1R,5R)-3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]-N-(2-phenylethyl)acetamide
CID 98060353
2-(4-oxo-3,9-diazabicyclo[4.2.1]nonan-9-yl)-N-(1-phenylethyl)acetamide
CID 6488066
2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-propan-2-ylacetamide
CID 53159374
N-[[(2S,5R)-5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]propanamide
CID 171388121
2-(4-benzhydrylpiperidin-1-yl)-N-propan-2-ylacetamide
CID 59104361
N-(4-fluorophenyl)-2-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide
CID 16669795
2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 111490245
2-[(1S,5R)-3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 95797305
N-benzyl-2-[3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide
CID 16669784

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,5S)-3-hydroxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(1S,5S)-3-hydroxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl]-N-propan-2-ylacetamide (CID 98066429) is 2-[(1S,5S)-3-hydroxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(1S,5S)-3-hydroxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(1S,5S)-3-hydroxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1[C@H]2CC[C@H]1CC(O)(c1ccccn1)C2.
What is the InChIKey of 2-[(1S,5S)-3-hydroxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl]-N-propan-2-ylacetamide?
The InChIKey is JQKBSKDFIBGUFR-KBPBESRZSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12(2)19-16(21)11-20-13-6-7-14(20)10-17(22,9-13)15-5-3-4-8-18-15/h3-5,8,12-14,22H,6-7,9-11H2,1-2H3,(H,19,21)/t13-,14-/m0/s1.
What are the key properties of 2-[(1S,5S)-3-hydroxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl]-N-propan-2-ylacetamide?
2-[(1S,5S)-3-hydroxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl]-N-propan-2-ylacetamide has a molecular weight of 303.41 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,5S)-3-hydroxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 98066429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).