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

C20H27N5O2 — CID 139383360

IUPAC4-[9-methoxy-3-[(3-methylimidazol-4-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide
SMILESCOC1(c2ccnc(C(N)=O)c2)C2CCCC1CN(Cc1cncn1C)C2
InChIInChI=1S/C20H27N5O2/c1-24-13-22-9-17(24)12-25-10-15-4-3-5-16(11-25)20(15,27-2)14-6-7-23-18(8-14)19(21)26/h6-9,13,15-16H,3-5,10-12H2,1-2H3,(H2,21,26)
InChIKeyIENWCJFNHPDVCJ-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.69
Rot. Bonds5

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

4-[9-methoxy-3-[(3-methylimidazol-4-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide (PubChem CID 139383360) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-[9-methoxy-3-[(3-methylimidazol-4-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[9-methoxy-3-[(3-methylimidazol-4-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide
PubChem CID139383360
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name4-[9-methoxy-3-[(3-methylimidazol-4-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide
SMILESCOC1(c2ccnc(C(N)=O)c2)C2CCCC1CN(Cc1cncn1C)C2
InChIInChI=1S/C20H27N5O2/c1-24-13-22-9-17(24)12-25-10-15-4-3-5-16(11-25)20(15,27-2)14-6-7-23-18(8-14)19(21)26/h6-9,13,15-16H,3-5,10-12H2,1-2H3,(H2,21,26)
InChIKeyIENWCJFNHPDVCJ-UHFFFAOYSA-N
XLogP1.69
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[9-methoxy-3-[(3-methylimidazol-4-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[9-methoxy-3-[(3-methylimidazol-4-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide?
The IUPAC name of 4-[9-methoxy-3-[(3-methylimidazol-4-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide (CID 139383360) is 4-[9-methoxy-3-[(3-methylimidazol-4-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[9-methoxy-3-[(3-methylimidazol-4-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-[9-methoxy-3-[(3-methylimidazol-4-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide is COC1(c2ccnc(C(N)=O)c2)C2CCCC1CN(Cc1cncn1C)C2.
What is the InChIKey of 4-[9-methoxy-3-[(3-methylimidazol-4-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide?
The InChIKey is IENWCJFNHPDVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-24-13-22-9-17(24)12-25-10-15-4-3-5-16(11-25)20(15,27-2)14-6-7-23-18(8-14)19(21)26/h6-9,13,15-16H,3-5,10-12H2,1-2H3,(H2,21,26).
What are the key properties of 4-[9-methoxy-3-[(3-methylimidazol-4-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide?
4-[9-methoxy-3-[(3-methylimidazol-4-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-methoxy-3-[(3-methylimidazol-4-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide is sourced from PubChem (CID 139383360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).