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

C23H25N3O — CID 141360952

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-methylphenyl)indolizine-2-carboxamide
SMILESCc1cccc(-c2cccc3cc(C(=O)NC4CN5CCC4CC5)cn23)c1
InChIInChI=1S/C23H25N3O/c1-16-4-2-5-18(12-16)22-7-3-6-20-13-19(14-26(20)22)23(27)24-21-15-25-10-8-17(21)9-11-25/h2-7,12-14,17,21H,8-11,15H2,1H3,(H,24,27)
InChIKeySHQQVEHSZWXNPU-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.74
Rot. Bonds3

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

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-methylphenyl)indolizine-2-carboxamide (PubChem CID 141360952) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-methylphenyl)indolizine-2-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-methylphenyl)indolizine-2-carboxamide
PubChem CID141360952
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-methylphenyl)indolizine-2-carboxamide
SMILESCc1cccc(-c2cccc3cc(C(=O)NC4CN5CCC4CC5)cn23)c1
InChIInChI=1S/C23H25N3O/c1-16-4-2-5-18(12-16)22-7-3-6-20-13-19(14-26(20)22)23(27)24-21-15-25-10-8-17(21)9-11-25/h2-7,12-14,17,21H,8-11,15H2,1H3,(H,24,27)
InChIKeySHQQVEHSZWXNPU-UHFFFAOYSA-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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Related Compounds

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(4-tert-butylphenyl)indolizine-2-carboxamide
CID 127032420
methyl 5-(3-methylphenyl)indolizine-2-carboxylate
CID 141361015
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]-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-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride
CID 19766290
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dimethylbenzamide
CID 91948829
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-pyrrolidin-1-ylpyrrolo[1,2-a]quinoline-2-carboxamide
CID 155532652
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-bromoindolizine-6-carboxamide
CID 10172247
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-chloroindolizine-2-carboxamide
CID 86272491
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide
CID 10149424
4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbenzamide
CID 16787826

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-methylphenyl)indolizine-2-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-methylphenyl)indolizine-2-carboxamide (CID 141360952) is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-methylphenyl)indolizine-2-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-methylphenyl)indolizine-2-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-methylphenyl)indolizine-2-carboxamide is Cc1cccc(-c2cccc3cc(C(=O)NC4CN5CCC4CC5)cn23)c1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-methylphenyl)indolizine-2-carboxamide?
The InChIKey is SHQQVEHSZWXNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-16-4-2-5-18(12-16)22-7-3-6-20-13-19(14-26(20)22)23(27)24-21-15-25-10-8-17(21)9-11-25/h2-7,12-14,17,21H,8-11,15H2,1H3,(H,24,27).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-methylphenyl)indolizine-2-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-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-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-methylphenyl)indolizine-2-carboxamide is sourced from PubChem (CID 141360952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).