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

C22H23N3O — CID 86275816

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenylindolizine-2-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(-c3ccccc3)n2c1
InChIInChI=1S/C22H23N3O/c26-22(23-20-15-24-11-9-16(20)10-12-24)18-13-19-7-4-8-21(25(19)14-18)17-5-2-1-3-6-17/h1-8,13-14,16,20H,9-12,15H2,(H,23,26)/t20-/m0/s1
InChIKeyILNLNLBNSSTEIT-FQEVSTJZSA-N
MW345.45 g/mol
LogP3.43
Rot. Bonds3

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

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenylindolizine-2-carboxamide (PubChem CID 86275816) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenylindolizine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenylindolizine-2-carboxamide
PubChem CID86275816
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenylindolizine-2-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(-c3ccccc3)n2c1
InChIInChI=1S/C22H23N3O/c26-22(23-20-15-24-11-9-16(20)10-12-24)18-13-19-7-4-8-21(25(19)14-18)17-5-2-1-3-6-17/h1-8,13-14,16,20H,9-12,15H2,(H,23,26)/t20-/m0/s1
InChIKeyILNLNLBNSSTEIT-FQEVSTJZSA-N
XLogP3.43
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.43
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-phenylindolizine-2-carboxamide?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenylindolizine-2-carboxamide (CID 86275816) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenylindolizine-2-carboxamide.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenylindolizine-2-carboxamide?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenylindolizine-2-carboxamide is O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(-c3ccccc3)n2c1.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenylindolizine-2-carboxamide?
The InChIKey is ILNLNLBNSSTEIT-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H23N3O/c26-22(23-20-15-24-11-9-16(20)10-12-24)18-13-19-7-4-8-21(25(19)14-18)17-5-2-1-3-6-17/h1-8,13-14,16,20H,9-12,15H2,(H,23,26)/t20-/m0/s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenylindolizine-2-carboxamide?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenylindolizine-2-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 3.43, 3 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-phenylindolizine-2-carboxamide is sourced from PubChem (CID 86275816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).