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

C18H23N3O2 — CID 124753319

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-hydroxy-1,2-dimethylindole-3-carboxamide
SMILESCc1c(C(=O)N[C@H]2CN3CCC2CC3)c2cc(O)ccc2n1C
InChIInChI=1S/C18H23N3O2/c1-11-17(14-9-13(22)3-4-16(14)20(11)2)18(23)19-15-10-21-7-5-12(15)6-8-21/h3-4,9,12,15,22H,5-8,10H2,1-2H3,(H,19,23)/t15-/m0/s1
InChIKeyLUCICIGYANCRJG-HNNXBMFYSA-N
MW313.40 g/mol
LogP2.02
Rot. Bonds2

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

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-hydroxy-1,2-dimethylindole-3-carboxamide (PubChem CID 124753319) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-hydroxy-1,2-dimethylindole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-hydroxy-1,2-dimethylindole-3-carboxamide
PubChem CID124753319
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-hydroxy-1,2-dimethylindole-3-carboxamide
SMILESCc1c(C(=O)N[C@H]2CN3CCC2CC3)c2cc(O)ccc2n1C
InChIInChI=1S/C18H23N3O2/c1-11-17(14-9-13(22)3-4-16(14)20(11)2)18(23)19-15-10-21-7-5-12(15)6-8-21/h3-4,9,12,15,22H,5-8,10H2,1-2H3,(H,19,23)/t15-/m0/s1
InChIKeyLUCICIGYANCRJG-HNNXBMFYSA-N
XLogP2.02
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-hydroxy-1,2-dimethylindole-3-carboxamide with MolForge

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Related Compounds

5-hydroxy-1,2-dimethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]indole-3-carboxamide
CID 91841298
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-hydroxy-1H-indazole-3-carboxamide;hydrobromide
CID 67230292
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dimethylbenzamide
CID 91948829
N-(1-azabicyclo[2.2.2]octan-3-yl)-1-methylindole-3-carboxamide
CID 14578824
4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbenzamide
CID 16787826
(5-hydroxy-1,2-dimethylindol-3-yl)-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone
CID 70761632
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydroxybenzamide
CID 15020109
N-[(3R,4R)-4-hydroxyoxan-3-yl]-5-methoxy-1,2-dimethylindole-3-carboxamide
CID 91791830
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-bromo-4-methylbenzamide
CID 81472016
3-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methylbenzamide
CID 16793700
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-chloro-5-methylthiophene-2-carboxamide
CID 18181690
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methyl-4-(methylamino)benzamide
CID 63210546

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-hydroxy-1,2-dimethylindole-3-carboxamide?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-hydroxy-1,2-dimethylindole-3-carboxamide (CID 124753319) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-hydroxy-1,2-dimethylindole-3-carboxamide.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-hydroxy-1,2-dimethylindole-3-carboxamide?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-hydroxy-1,2-dimethylindole-3-carboxamide is Cc1c(C(=O)N[C@H]2CN3CCC2CC3)c2cc(O)ccc2n1C.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-hydroxy-1,2-dimethylindole-3-carboxamide?
The InChIKey is LUCICIGYANCRJG-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-11-17(14-9-13(22)3-4-16(14)20(11)2)18(23)19-15-10-21-7-5-12(15)6-8-21/h3-4,9,12,15,22H,5-8,10H2,1-2H3,(H,19,23)/t15-/m0/s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-hydroxy-1,2-dimethylindole-3-carboxamide?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-hydroxy-1,2-dimethylindole-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-hydroxy-1,2-dimethylindole-3-carboxamide is sourced from PubChem (CID 124753319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).