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

C23H25N3O — CID 86272239

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(2-methylphenyl)indolizine-2-carboxamide
SMILESCc1ccccc1-c1cccc2cc(C(=O)N[C@H]3CN4CCC3CC4)cn12
InChIInChI=1S/C23H25N3O/c1-16-5-2-3-7-20(16)22-8-4-6-19-13-18(14-26(19)22)23(27)24-21-15-25-11-9-17(21)10-12-25/h2-8,13-14,17,21H,9-12,15H2,1H3,(H,24,27)/t21-/m0/s1
InChIKeyKEXLKHXDJQQDPL-NRFANRHFSA-N
MW359.47 g/mol
LogP3.74
Rot. Bonds3

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

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(2-methylphenyl)indolizine-2-carboxamide (PubChem CID 86272239) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(2-methylphenyl)indolizine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(2-methylphenyl)indolizine-2-carboxamide
PubChem CID86272239
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(2-methylphenyl)indolizine-2-carboxamide
SMILESCc1ccccc1-c1cccc2cc(C(=O)N[C@H]3CN4CCC3CC4)cn12
InChIInChI=1S/C23H25N3O/c1-16-5-2-3-7-20(16)22-8-4-6-19-13-18(14-26(19)22)23(27)24-21-15-25-11-9-17(21)10-12-25/h2-8,13-14,17,21H,9-12,15H2,1H3,(H,24,27)/t21-/m0/s1
InChIKeyKEXLKHXDJQQDPL-NRFANRHFSA-N
XLogP3.74
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.74
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-(2-methylphenyl)indolizine-2-carboxamide?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(2-methylphenyl)indolizine-2-carboxamide (CID 86272239) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(2-methylphenyl)indolizine-2-carboxamide.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(2-methylphenyl)indolizine-2-carboxamide?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(2-methylphenyl)indolizine-2-carboxamide is Cc1ccccc1-c1cccc2cc(C(=O)N[C@H]3CN4CCC3CC4)cn12.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(2-methylphenyl)indolizine-2-carboxamide?
The InChIKey is KEXLKHXDJQQDPL-NRFANRHFSA-N. The full InChI is InChI=1S/C23H25N3O/c1-16-5-2-3-7-20(16)22-8-4-6-19-13-18(14-26(19)22)23(27)24-21-15-25-11-9-17(21)10-12-25/h2-8,13-14,17,21H,9-12,15H2,1H3,(H,24,27)/t21-/m0/s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(2-methylphenyl)indolizine-2-carboxamide?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(2-methylphenyl)indolizine-2-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 3.74, 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-(2-methylphenyl)indolizine-2-carboxamide is sourced from PubChem (CID 86272239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).