2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide

C19H25N5O — CID 119848284

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide
SMILESCc1nccn1-c1ccc(CNC(=O)CC2CC3CCC(C2)N3)cn1
InChIInChI=1S/C19H25N5O/c1-13-20-6-7-24(13)18-5-2-14(11-21-18)12-22-19(25)10-15-8-16-3-4-17(9-15)23-16/h2,5-7,11,15-17,23H,3-4,8-10,12H2,1H3,(H,22,25)
InChIKeyQBGLFQQQYWOAMB-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.11
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide (PubChem CID 119848284) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide
PubChem CID119848284
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide
SMILESCc1nccn1-c1ccc(CNC(=O)CC2CC3CCC(C2)N3)cn1
InChIInChI=1S/C19H25N5O/c1-13-20-6-7-24(13)18-5-2-14(11-21-18)12-22-19(25)10-15-8-16-3-4-17(9-15)23-16/h2,5-7,11,15-17,23H,3-4,8-10,12H2,1H3,(H,22,25)
InChIKeyQBGLFQQQYWOAMB-UHFFFAOYSA-N
XLogP2.11
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide (CID 119848284) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide is Cc1nccn1-c1ccc(CNC(=O)CC2CC3CCC(C2)N3)cn1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide?
The InChIKey is QBGLFQQQYWOAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-13-20-6-7-24(13)18-5-2-14(11-21-18)12-22-19(25)10-15-8-16-3-4-17(9-15)23-16/h2,5-7,11,15-17,23H,3-4,8-10,12H2,1H3,(H,22,25).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide has a molecular weight of 339.44 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 119848284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).