N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-methylindolizine-2-carboxamide

C17H21N3O — CID 86272237

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-methylindolizine-2-carboxamide
SMILESCc1cccc2cc(C(=O)N[C@H]3CN4CCC3CC4)cn12
InChIInChI=1S/C17H21N3O/c1-12-3-2-4-15-9-14(10-20(12)15)17(21)18-16-11-19-7-5-13(16)6-8-19/h2-4,9-10,13,16H,5-8,11H2,1H3,(H,18,21)/t16-/m0/s1
InChIKeyJUJIIDHBJSLGEK-INIZCTEOSA-N
MW283.38 g/mol
LogP2.07
Rot. Bonds2

About N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-methylindolizine-2-carboxamide

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-methylindolizine-2-carboxamide (PubChem CID 86272237) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-methylindolizine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-methylindolizine-2-carboxamide
PubChem CID86272237
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-methylindolizine-2-carboxamide
SMILESCc1cccc2cc(C(=O)N[C@H]3CN4CCC3CC4)cn12
InChIInChI=1S/C17H21N3O/c1-12-3-2-4-15-9-14(10-20(12)15)17(21)18-16-11-19-7-5-13(16)6-8-19/h2-4,9-10,13,16H,5-8,11H2,1H3,(H,18,21)/t16-/m0/s1
InChIKeyJUJIIDHBJSLGEK-INIZCTEOSA-N
XLogP2.07
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-methylindolizine-2-carboxamide?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-methylindolizine-2-carboxamide (CID 86272237) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-methylindolizine-2-carboxamide.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-methylindolizine-2-carboxamide?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-methylindolizine-2-carboxamide is Cc1cccc2cc(C(=O)N[C@H]3CN4CCC3CC4)cn12.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-methylindolizine-2-carboxamide?
The InChIKey is JUJIIDHBJSLGEK-INIZCTEOSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-3-2-4-15-9-14(10-20(12)15)17(21)18-16-11-19-7-5-13(16)6-8-19/h2-4,9-10,13,16H,5-8,11H2,1H3,(H,18,21)/t16-/m0/s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-methylindolizine-2-carboxamide?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-methylindolizine-2-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-methylindolizine-2-carboxamide is sourced from PubChem (CID 86272237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).