4-(9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)pyridine-2-carboxamide

C15H21N3O2 — CID 139383453

IUPAC4-(9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)pyridine-2-carboxamide
SMILESCOC1(c2ccnc(C(N)=O)c2)C2CCCC1CNC2
InChIInChI=1S/C15H21N3O2/c1-20-15(10-5-6-18-13(7-10)14(16)19)11-3-2-4-12(15)9-17-8-11/h5-7,11-12,17H,2-4,8-9H2,1H3,(H2,16,19)
InChIKeyOBSKKSYSTXPHIH-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.04
Rot. Bonds3

About 4-(9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)pyridine-2-carboxamide

4-(9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)pyridine-2-carboxamide (PubChem CID 139383453) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-(9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)pyridine-2-carboxamide
PubChem CID139383453
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-(9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)pyridine-2-carboxamide
SMILESCOC1(c2ccnc(C(N)=O)c2)C2CCCC1CNC2
InChIInChI=1S/C15H21N3O2/c1-20-15(10-5-6-18-13(7-10)14(16)19)11-3-2-4-12(15)9-17-8-11/h5-7,11-12,17H,2-4,8-9H2,1H3,(H2,16,19)
InChIKeyOBSKKSYSTXPHIH-UHFFFAOYSA-N
XLogP1.04
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)pyridine-2-carboxamide?
The IUPAC name of 4-(9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)pyridine-2-carboxamide (CID 139383453) is 4-(9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-(9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)pyridine-2-carboxamide is COC1(c2ccnc(C(N)=O)c2)C2CCCC1CNC2.
What is the InChIKey of 4-(9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)pyridine-2-carboxamide?
The InChIKey is OBSKKSYSTXPHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-20-15(10-5-6-18-13(7-10)14(16)19)11-3-2-4-12(15)9-17-8-11/h5-7,11-12,17H,2-4,8-9H2,1H3,(H2,16,19).
What are the key properties of 4-(9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)pyridine-2-carboxamide?
4-(9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)pyridine-2-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)pyridine-2-carboxamide is sourced from PubChem (CID 139383453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).