5-hydroxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3-carboxamide

C15H21N3O2 — CID 65471648

IUPAC5-hydroxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3-carboxamide
SMILESCN1C2CCCC1CC(NC(=O)c1cncc(O)c1)C2
InChIInChI=1S/C15H21N3O2/c1-18-12-3-2-4-13(18)7-11(6-12)17-15(20)10-5-14(19)9-16-8-10/h5,8-9,11-13,19H,2-4,6-7H2,1H3,(H,17,20)
InChIKeyVBKBTLMZFBLCCC-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.53
Rot. Bonds2

About 5-hydroxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3-carboxamide

5-hydroxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3-carboxamide (PubChem CID 65471648) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 5-hydroxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3-carboxamide
PubChem CID65471648
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name5-hydroxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3-carboxamide
SMILESCN1C2CCCC1CC(NC(=O)c1cncc(O)c1)C2
InChIInChI=1S/C15H21N3O2/c1-18-12-3-2-4-13(18)7-11(6-12)17-15(20)10-5-14(19)9-16-8-10/h5,8-9,11-13,19H,2-4,6-7H2,1H3,(H,17,20)
InChIKeyVBKBTLMZFBLCCC-UHFFFAOYSA-N
XLogP1.53
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3-carboxamide?
The IUPAC name of 5-hydroxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3-carboxamide (CID 65471648) is 5-hydroxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-hydroxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-hydroxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3-carboxamide is CN1C2CCCC1CC(NC(=O)c1cncc(O)c1)C2.
What is the InChIKey of 5-hydroxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3-carboxamide?
The InChIKey is VBKBTLMZFBLCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-18-12-3-2-4-13(18)7-11(6-12)17-15(20)10-5-14(19)9-16-8-10/h5,8-9,11-13,19H,2-4,6-7H2,1H3,(H,17,20).
What are the key properties of 5-hydroxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3-carboxamide?
5-hydroxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 65471648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).