N-(1-azabicyclo[2.2.2]octan-3-yl)-1-methylindole-3-carboxamide

C17H21N3O — CID 14578824

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-1-methylindole-3-carboxamide
SMILESCn1cc(C(=O)NC2CN3CCC2CC3)c2ccccc21
InChIInChI=1S/C17H21N3O/c1-19-10-14(13-4-2-3-5-16(13)19)17(21)18-15-11-20-8-6-12(15)7-9-20/h2-5,10,12,15H,6-9,11H2,1H3,(H,18,21)
InChIKeyHOXMHYCUYFWTJV-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.00
Rot. Bonds2

About N-(1-azabicyclo[2.2.2]octan-3-yl)-1-methylindole-3-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-1-methylindole-3-carboxamide (PubChem CID 14578824) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-1-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-1-methylindole-3-carboxamide
PubChem CID14578824
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-1-methylindole-3-carboxamide
SMILESCn1cc(C(=O)NC2CN3CCC2CC3)c2ccccc21
InChIInChI=1S/C17H21N3O/c1-19-10-14(13-4-2-3-5-16(13)19)17(21)18-15-11-20-8-6-12(15)7-9-20/h2-5,10,12,15H,6-9,11H2,1H3,(H,18,21)
InChIKeyHOXMHYCUYFWTJV-UHFFFAOYSA-N
XLogP2.00
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-propan-2-ylindole-3-carboxamide
CID 97266405
N-cyclopentyl-1-methylindole-3-carboxamide
CID 9209194
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydroxybenzamide
CID 15020109
N-(2-chloro-4-methylidenecyclohexyl)-1-methylindole-3-carboxamide
CID 91457088
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methoxybenzamide;oxalic acid
CID 24834277
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-(5-bromo-1-methylindol-3-yl)-2-oxoacetamide;hydrochloride
CID 70073342
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dimethylbenzamide
CID 91948829
N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride
CID 19766290
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloronaphthalene-1-carboxamide
CID 3996470
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-ethoxybenzamide
CID 68666556
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-cyano-1-methylindol-3-yl)-2-oxoacetamide;hydrochloride
CID 70073352
1-methyl-N-phenylindole-3-carboxamide
CID 9038340

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-1-methylindole-3-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-1-methylindole-3-carboxamide (CID 14578824) is N-(1-azabicyclo[2.2.2]octan-3-yl)-1-methylindole-3-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-1-methylindole-3-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-1-methylindole-3-carboxamide is Cn1cc(C(=O)NC2CN3CCC2CC3)c2ccccc21.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-1-methylindole-3-carboxamide?
The InChIKey is HOXMHYCUYFWTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-19-10-14(13-4-2-3-5-16(13)19)17(21)18-15-11-20-8-6-12(15)7-9-20/h2-5,10,12,15H,6-9,11H2,1H3,(H,18,21).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-1-methylindole-3-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-1-methylindole-3-carboxamide has a molecular weight of 283.37 g/mol, XLogP of 2.00, 2 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)-1-methylindole-3-carboxamide is sourced from PubChem (CID 14578824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).