N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide

C16H20N4O — CID 10149424

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1cn2cc(C(=O)N[C@H]3CN4CCC3CC4)ccc2n1
InChIInChI=1S/C16H20N4O/c1-11-8-20-9-13(2-3-15(20)17-11)16(21)18-14-10-19-6-4-12(14)5-7-19/h2-3,8-9,12,14H,4-7,10H2,1H3,(H,18,21)/t14-/m0/s1
InChIKeyZOYLOXKRSQMWPH-AWEZNQCLSA-N
MW284.36 g/mol
LogP1.47
Rot. Bonds2

About N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 10149424) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID10149424
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1cn2cc(C(=O)N[C@H]3CN4CCC3CC4)ccc2n1
InChIInChI=1S/C16H20N4O/c1-11-8-20-9-13(2-3-15(20)17-11)16(21)18-14-10-19-6-4-12(14)5-7-19/h2-3,8-9,12,14H,4-7,10H2,1H3,(H,18,21)/t14-/m0/s1
InChIKeyZOYLOXKRSQMWPH-AWEZNQCLSA-N
XLogP1.47
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide (CID 10149424) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide is Cc1cn2cc(C(=O)N[C@H]3CN4CCC3CC4)ccc2n1.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is ZOYLOXKRSQMWPH-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-8-20-9-13(2-3-15(20)17-11)16(21)18-14-10-19-6-4-12(14)5-7-19/h2-3,8-9,12,14H,4-7,10H2,1H3,(H,18,21)/t14-/m0/s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 10149424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).