N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(4-tert-butylphenyl)indolizine-2-carboxamide

C26H31N3O — CID 127032420

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(4-tert-butylphenyl)indolizine-2-carboxamide
SMILESCC(C)(C)c1ccc(-c2cccc3cc(C(=O)N[C@H]4CN5CCC4CC5)cn23)cc1
InChIInChI=1S/C26H31N3O/c1-26(2,3)21-9-7-19(8-10-21)24-6-4-5-22-15-20(16-29(22)24)25(30)27-23-17-28-13-11-18(23)12-14-28/h4-10,15-16,18,23H,11-14,17H2,1-3H3,(H,27,30)/t23-/m0/s1
InChIKeySOEVDLFRBWQGPB-QHCPKHFHSA-N
MW401.55 g/mol
LogP4.73
Rot. Bonds3

About N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(4-tert-butylphenyl)indolizine-2-carboxamide

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(4-tert-butylphenyl)indolizine-2-carboxamide (PubChem CID 127032420) has the molecular formula C26H31N3O and a molecular weight of 401.55 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(4-tert-butylphenyl)indolizine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(4-tert-butylphenyl)indolizine-2-carboxamide
PubChem CID127032420
Molecular FormulaC26H31N3O
Molecular Weight401.55 g/mol
Exact Mass401.25
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(4-tert-butylphenyl)indolizine-2-carboxamide
SMILESCC(C)(C)c1ccc(-c2cccc3cc(C(=O)N[C@H]4CN5CCC4CC5)cn23)cc1
InChIInChI=1S/C26H31N3O/c1-26(2,3)21-9-7-19(8-10-21)24-6-4-5-22-15-20(16-29(22)24)25(30)27-23-17-28-13-11-18(23)12-14-28/h4-10,15-16,18,23H,11-14,17H2,1-3H3,(H,27,30)/t23-/m0/s1
InChIKeySOEVDLFRBWQGPB-QHCPKHFHSA-N
XLogP4.73
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(4-tert-butylphenyl)indolizine-2-carboxamide with MolForge

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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-methylphenyl)indolizine-2-carboxamide
CID 141360952
methyl 5-(4-tert-butylphenyl)indolizine-2-carboxylate
CID 141360951
N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride
CID 19766290
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-pyridin-4-ylpyrrolo[1,2-a]quinoline-2-carboxamide
CID 155512318
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3-fluorophenyl)benzamide
CID 67326377
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-pyrrolidin-1-ylpyrrolo[1,2-a]quinoline-2-carboxamide
CID 155532652
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-methylphenyl)benzamide
CID 91404239
4-[4-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)phenyl]-3-methoxybenzoic acid
CID 131929147
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(3,5-dichlorophenyl)benzamide
CID 23599460
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(125I)iodo(125I)benzamide
CID 11325679
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6,7-dihydro-5H-pyrrolizine-2-carboxamide
CID 155568030
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-bromoindolizine-6-carboxamide
CID 10172247

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(4-tert-butylphenyl)indolizine-2-carboxamide?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(4-tert-butylphenyl)indolizine-2-carboxamide (CID 127032420) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(4-tert-butylphenyl)indolizine-2-carboxamide.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(4-tert-butylphenyl)indolizine-2-carboxamide?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(4-tert-butylphenyl)indolizine-2-carboxamide is CC(C)(C)c1ccc(-c2cccc3cc(C(=O)N[C@H]4CN5CCC4CC5)cn23)cc1.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(4-tert-butylphenyl)indolizine-2-carboxamide?
The InChIKey is SOEVDLFRBWQGPB-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H31N3O/c1-26(2,3)21-9-7-19(8-10-21)24-6-4-5-22-15-20(16-29(22)24)25(30)27-23-17-28-13-11-18(23)12-14-28/h4-10,15-16,18,23H,11-14,17H2,1-3H3,(H,27,30)/t23-/m0/s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(4-tert-butylphenyl)indolizine-2-carboxamide?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(4-tert-butylphenyl)indolizine-2-carboxamide has a molecular weight of 401.55 g/mol, XLogP of 4.73, 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-(4-tert-butylphenyl)indolizine-2-carboxamide is sourced from PubChem (CID 127032420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).