3-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylpropanamide

C16H23N3O2 — CID 154617684

IUPAC3-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylpropanamide
SMILESCN1C2CCC1CC(NC(=O)C(CO)c1cccnc1)C2
InChIInChI=1S/C16H23N3O2/c1-19-13-4-5-14(19)8-12(7-13)18-16(21)15(10-20)11-3-2-6-17-9-11/h2-3,6,9,12-15,20H,4-5,7-8,10H2,1H3,(H,18,21)
InChIKeyLWMIFOYILVMUIQ-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.90
Rot. Bonds4

About 3-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylpropanamide

3-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylpropanamide (PubChem CID 154617684) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name3-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylpropanamide
PubChem CID154617684
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylpropanamide
SMILESCN1C2CCC1CC(NC(=O)C(CO)c1cccnc1)C2
InChIInChI=1S/C16H23N3O2/c1-19-13-4-5-14(19)8-12(7-13)18-16(21)15(10-20)11-3-2-6-17-9-11/h2-3,6,9,12-15,20H,4-5,7-8,10H2,1H3,(H,18,21)
InChIKeyLWMIFOYILVMUIQ-UHFFFAOYSA-N
XLogP0.90
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylpropanamide?
The IUPAC name of 3-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylpropanamide (CID 154617684) is 3-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylpropanamide.
What is the SMILES notation for 3-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylpropanamide?
The canonical SMILES for 3-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylpropanamide is CN1C2CCC1CC(NC(=O)C(CO)c1cccnc1)C2.
What is the InChIKey of 3-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylpropanamide?
The InChIKey is LWMIFOYILVMUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-19-13-4-5-14(19)8-12(7-13)18-16(21)15(10-20)11-3-2-6-17-9-11/h2-3,6,9,12-15,20H,4-5,7-8,10H2,1H3,(H,18,21).
What are the key properties of 3-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylpropanamide?
3-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylpropanamide has a molecular weight of 289.38 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylpropanamide is sourced from PubChem (CID 154617684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).