N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-cyano-1-methylindol-3-yl)-2-oxoacetamide;hydrochloride

C19H21ClN4O2 — CID 70073352

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-cyano-1-methylindol-3-yl)-2-oxoacetamide;hydrochloride
SMILESCl.Cn1cc(C(=O)C(=O)NC2CN3CCC2CC3)c2cc(C#N)ccc21
InChIInChI=1S/C19H20N4O2.ClH/c1-22-10-15(14-8-12(9-20)2-3-17(14)22)18(24)19(25)21-16-11-23-6-4-13(16)5-7-23;/h2-3,8,10,13,16H,4-7,11H2,1H3,(H,21,25);1H
InChIKeyCNPVMKWPJLVLDN-UHFFFAOYSA-N
MW372.86 g/mol
LogP1.86
Rot. Bonds3

About N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-cyano-1-methylindol-3-yl)-2-oxoacetamide;hydrochloride

N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-cyano-1-methylindol-3-yl)-2-oxoacetamide;hydrochloride (PubChem CID 70073352) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-cyano-1-methylindol-3-yl)-2-oxoacetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-cyano-1-methylindol-3-yl)-2-oxoacetamide;hydrochloride
PubChem CID70073352
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-cyano-1-methylindol-3-yl)-2-oxoacetamide;hydrochloride
SMILESCl.Cn1cc(C(=O)C(=O)NC2CN3CCC2CC3)c2cc(C#N)ccc21
InChIInChI=1S/C19H20N4O2.ClH/c1-22-10-15(14-8-12(9-20)2-3-17(14)22)18(24)19(25)21-16-11-23-6-4-13(16)5-7-23;/h2-3,8,10,13,16H,4-7,11H2,1H3,(H,21,25);1H
InChIKeyCNPVMKWPJLVLDN-UHFFFAOYSA-N
XLogP1.86
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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)-1-methylindole-3-carboxamide
CID 14578824
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-cyanobenzamide
CID 24707260
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-[1-(cyclopropylmethyl)indol-3-yl]-2-oxoacetamide;hydrochloride
CID 70074579
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-cyano-2,1-benzothiazole-3-carboxamide
CID 69430716
acetic acid;3-ethanimidoyl-1-methylindole-5-carbonitrile
CID 144937972
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-(6-methoxy-1H-indol-3-yl)-2-oxoacetamide;hydrochloride
CID 70075185
N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-cyanopyrrole-1-carboxamide
CID 21083403
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-hydroxy-1,2-dimethylindole-3-carboxamide
CID 124753319
N-(1-azabicyclo[2.2.1]heptan-3-yl)-6-cyanoisoquinoline-3-carboxamide
CID 22243610
N-(1-azabicyclo[3.3.1]nonan-3-yl)-2-(5-cyano-1H-indol-3-yl)-2-oxoacetamide
CID 19775419
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(3-cyanophenyl)thiophene-2-carboxamide
CID 70138519

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-cyano-1-methylindol-3-yl)-2-oxoacetamide;hydrochloride?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-cyano-1-methylindol-3-yl)-2-oxoacetamide;hydrochloride (CID 70073352) is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-cyano-1-methylindol-3-yl)-2-oxoacetamide;hydrochloride.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-cyano-1-methylindol-3-yl)-2-oxoacetamide;hydrochloride?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-cyano-1-methylindol-3-yl)-2-oxoacetamide;hydrochloride is Cl.Cn1cc(C(=O)C(=O)NC2CN3CCC2CC3)c2cc(C#N)ccc21.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-cyano-1-methylindol-3-yl)-2-oxoacetamide;hydrochloride?
The InChIKey is CNPVMKWPJLVLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2.ClH/c1-22-10-15(14-8-12(9-20)2-3-17(14)22)18(24)19(25)21-16-11-23-6-4-13(16)5-7-23;/h2-3,8,10,13,16H,4-7,11H2,1H3,(H,21,25);1H.
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-cyano-1-methylindol-3-yl)-2-oxoacetamide;hydrochloride?
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-cyano-1-methylindol-3-yl)-2-oxoacetamide;hydrochloride has a molecular weight of 372.86 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-cyano-1-methylindol-3-yl)-2-oxoacetamide;hydrochloride is sourced from PubChem (CID 70073352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).