N-[1-cyano-2-[4-(1H-indol-6-yl)phenyl]ethyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide

C24H24N4O — CID 123600134

IUPACN-[1-cyano-2-[4-(1H-indol-6-yl)phenyl]ethyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide
SMILESN#CC(Cc1ccc(-c2ccc3cc[nH]c3c2)cc1)NC(=O)C1NC2CCC1C2
InChIInChI=1S/C24H24N4O/c25-14-21(28-24(29)23-19-7-8-20(12-19)27-23)11-15-1-3-16(4-2-15)18-6-5-17-9-10-26-22(17)13-18/h1-6,9-10,13,19-21,23,26-27H,7-8,11-12H2,(H,28,29)
InChIKeyTXSYUOVLJSCAFO-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.53
Rot. Bonds5

About N-[1-cyano-2-[4-(1H-indol-6-yl)phenyl]ethyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide

N-[1-cyano-2-[4-(1H-indol-6-yl)phenyl]ethyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide (PubChem CID 123600134) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[1-cyano-2-[4-(1H-indol-6-yl)phenyl]ethyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide.

Molecular Properties

Compound NameN-[1-cyano-2-[4-(1H-indol-6-yl)phenyl]ethyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide
PubChem CID123600134
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-[1-cyano-2-[4-(1H-indol-6-yl)phenyl]ethyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide
SMILESN#CC(Cc1ccc(-c2ccc3cc[nH]c3c2)cc1)NC(=O)C1NC2CCC1C2
InChIInChI=1S/C24H24N4O/c25-14-21(28-24(29)23-19-7-8-20(12-19)27-23)11-15-1-3-16(4-2-15)18-6-5-17-9-10-26-22(17)13-18/h1-6,9-10,13,19-21,23,26-27H,7-8,11-12H2,(H,28,29)
InChIKeyTXSYUOVLJSCAFO-UHFFFAOYSA-N
XLogP3.53
TPSA80.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(4-acetylphenyl)phenyl]-1-cyanoethyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 123602382
(1R,3S)-N-[(1S)-1-cyano-2-(4-iodophenyl)ethyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 130281043
N-[1-cyano-2-[4-(1-methylindol-5-yl)phenyl]ethyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 123442011
(1R,3S,4S)-N-[(1S)-1-cyano-2-[4-(2-oxo-1,3-dihydroindol-6-yl)phenyl]ethyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 91970499
(1R,3S,4S)-N-[(1S)-1-cyano-2-[4-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)phenyl]ethyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 89471941
N-[1-cyano-2-(2-fluoro-4-phenylphenyl)ethyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 123140090
(1S,3S,4S)-N-[(1S)-1-cyano-2-[4-(1-methylpiperidin-4-yl)phenyl]ethyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 71539000
(3S)-N-[(1S)-1-cyano-2-[4-(2-oxo-1,3-dihydroindol-5-yl)phenyl]ethyl]-2-azabicyclo[2.2.2]octane-3-carboxamide
CID 86269539
(1R,3S,4S)-N-[1-cyano-2-(5-phenyl-1-benzothiophen-2-yl)ethyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 90431360
N-(1-cyano-2-dibenzofuran-2-ylethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 123188424
(1S,3S,4S)-N-[(1S)-1-cyano-2-[4-(1-ethylsulfonylpiperidin-4-yl)phenyl]ethyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 71535066
(1R,3S)-N-[2-[4-(4-carbamoylphenyl)-2-fluorophenyl]-1-cyanoethyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 155276391

Frequently Asked Questions

What is the IUPAC name of N-[1-cyano-2-[4-(1H-indol-6-yl)phenyl]ethyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The IUPAC name of N-[1-cyano-2-[4-(1H-indol-6-yl)phenyl]ethyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide (CID 123600134) is N-[1-cyano-2-[4-(1H-indol-6-yl)phenyl]ethyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide.
What is the SMILES notation for N-[1-cyano-2-[4-(1H-indol-6-yl)phenyl]ethyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The canonical SMILES for N-[1-cyano-2-[4-(1H-indol-6-yl)phenyl]ethyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide is N#CC(Cc1ccc(-c2ccc3cc[nH]c3c2)cc1)NC(=O)C1NC2CCC1C2.
What is the InChIKey of N-[1-cyano-2-[4-(1H-indol-6-yl)phenyl]ethyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The InChIKey is TXSYUOVLJSCAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c25-14-21(28-24(29)23-19-7-8-20(12-19)27-23)11-15-1-3-16(4-2-15)18-6-5-17-9-10-26-22(17)13-18/h1-6,9-10,13,19-21,23,26-27H,7-8,11-12H2,(H,28,29).
What are the key properties of N-[1-cyano-2-[4-(1H-indol-6-yl)phenyl]ethyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide?
N-[1-cyano-2-[4-(1H-indol-6-yl)phenyl]ethyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 3.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyano-2-[4-(1H-indol-6-yl)phenyl]ethyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide is sourced from PubChem (CID 123600134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).