N-(1-azabicyclo[3.3.1]nonan-3-yl)-2-(5-cyano-1H-indol-3-yl)-2-oxoacetamide

C19H20N4O2 — CID 19775419

IUPACN-(1-azabicyclo[3.3.1]nonan-3-yl)-2-(5-cyano-1H-indol-3-yl)-2-oxoacetamide
SMILESN#Cc1ccc2[nH]cc(C(=O)C(=O)NC3CC4CCCN(C4)C3)c2c1
InChIInChI=1S/C19H20N4O2/c20-8-12-3-4-17-15(7-12)16(9-21-17)18(24)19(25)22-14-6-13-2-1-5-23(10-13)11-14/h3-4,7,9,13-14,21H,1-2,5-6,10-11H2,(H,22,25)
InChIKeyJRYWRATXSNYJMQ-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.82
Rot. Bonds3

About N-(1-azabicyclo[3.3.1]nonan-3-yl)-2-(5-cyano-1H-indol-3-yl)-2-oxoacetamide

N-(1-azabicyclo[3.3.1]nonan-3-yl)-2-(5-cyano-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 19775419) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(1-azabicyclo[3.3.1]nonan-3-yl)-2-(5-cyano-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(1-azabicyclo[3.3.1]nonan-3-yl)-2-(5-cyano-1H-indol-3-yl)-2-oxoacetamide
PubChem CID19775419
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC NameN-(1-azabicyclo[3.3.1]nonan-3-yl)-2-(5-cyano-1H-indol-3-yl)-2-oxoacetamide
SMILESN#Cc1ccc2[nH]cc(C(=O)C(=O)NC3CC4CCCN(C4)C3)c2c1
InChIInChI=1S/C19H20N4O2/c20-8-12-3-4-17-15(7-12)16(9-21-17)18(24)19(25)22-14-6-13-2-1-5-23(10-13)11-14/h3-4,7,9,13-14,21H,1-2,5-6,10-11H2,(H,22,25)
InChIKeyJRYWRATXSNYJMQ-UHFFFAOYSA-N
XLogP1.82
TPSA88.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(cycloheptanecarbonyl)-1H-indole-5-carbonitrile
CID 107919859
3-acetyl-1H-indole-5-carbonitrile
CID 28505
N-cyclopentyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208021
3-(oxane-4-carbonyl)-1H-indole-5-carbonitrile
CID 114015925
N-cyclopropyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208015
3-(1,1-dioxothiane-2-carbonyl)-1H-indole-5-carbonitrile
CID 107919756
3-(2,2-dimethylpropanoyl)-1H-indole-5-carbonitrile
CID 103942640
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-cyano-1-methylindol-3-yl)-2-oxoacetamide;hydrochloride
CID 70073352
3-[(E)-but-2-enoyl]-1H-indole-5-carbonitrile
CID 11333292
3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]-1H-indole-6-carbonitrile
CID 44595692
3-(3,5-diaminobenzoyl)-1H-indole-5-carbonitrile
CID 107920935
N-(4-cyanophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 27161298

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[3.3.1]nonan-3-yl)-2-(5-cyano-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-(1-azabicyclo[3.3.1]nonan-3-yl)-2-(5-cyano-1H-indol-3-yl)-2-oxoacetamide (CID 19775419) is N-(1-azabicyclo[3.3.1]nonan-3-yl)-2-(5-cyano-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-(1-azabicyclo[3.3.1]nonan-3-yl)-2-(5-cyano-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-(1-azabicyclo[3.3.1]nonan-3-yl)-2-(5-cyano-1H-indol-3-yl)-2-oxoacetamide is N#Cc1ccc2[nH]cc(C(=O)C(=O)NC3CC4CCCN(C4)C3)c2c1.
What is the InChIKey of N-(1-azabicyclo[3.3.1]nonan-3-yl)-2-(5-cyano-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is JRYWRATXSNYJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c20-8-12-3-4-17-15(7-12)16(9-21-17)18(24)19(25)22-14-6-13-2-1-5-23(10-13)11-14/h3-4,7,9,13-14,21H,1-2,5-6,10-11H2,(H,22,25).
What are the key properties of N-(1-azabicyclo[3.3.1]nonan-3-yl)-2-(5-cyano-1H-indol-3-yl)-2-oxoacetamide?
N-(1-azabicyclo[3.3.1]nonan-3-yl)-2-(5-cyano-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 336.39 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[3.3.1]nonan-3-yl)-2-(5-cyano-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 19775419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).