3-hydroxy-N-(6-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octane-8-carboxamide

C14H19N3O2 — CID 86793321

IUPAC3-hydroxy-N-(6-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCc1cccc(NC(=O)N2C3CCC2CC(O)C3)n1
InChIInChI=1S/C14H19N3O2/c1-9-3-2-4-13(15-9)16-14(19)17-10-5-6-11(17)8-12(18)7-10/h2-4,10-12,18H,5-8H2,1H3,(H,15,16,19)
InChIKeyUQRLJBDVICDHFA-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.91
Rot. Bonds1

About 3-hydroxy-N-(6-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octane-8-carboxamide

3-hydroxy-N-(6-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 86793321) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-hydroxy-N-(6-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(6-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID86793321
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-hydroxy-N-(6-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCc1cccc(NC(=O)N2C3CCC2CC(O)C3)n1
InChIInChI=1S/C14H19N3O2/c1-9-3-2-4-13(15-9)16-14(19)17-10-5-6-11(17)8-12(18)7-10/h2-4,10-12,18H,5-8H2,1H3,(H,15,16,19)
InChIKeyUQRLJBDVICDHFA-UHFFFAOYSA-N
XLogP1.91
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(6-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of 3-hydroxy-N-(6-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 86793321) is 3-hydroxy-N-(6-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(6-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for 3-hydroxy-N-(6-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octane-8-carboxamide is Cc1cccc(NC(=O)N2C3CCC2CC(O)C3)n1.
What is the InChIKey of 3-hydroxy-N-(6-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is UQRLJBDVICDHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9-3-2-4-13(15-9)16-14(19)17-10-5-6-11(17)8-12(18)7-10/h2-4,10-12,18H,5-8H2,1H3,(H,15,16,19).
What are the key properties of 3-hydroxy-N-(6-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octane-8-carboxamide?
3-hydroxy-N-(6-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(6-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 86793321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).