N-(furan-2-ylmethyl)-5-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)-1H-indole-3-carboxamide

C25H29N3O3 — CID 57481105

IUPACN-(furan-2-ylmethyl)-5-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)-1H-indole-3-carboxamide
SMILESCC1(C)CC2CC(C)(CN2C(=O)c2ccc3[nH]cc(C(=O)NCc4ccco4)c3c2)C1
InChIInChI=1S/C25H29N3O3/c1-24(2)10-17-11-25(3,14-24)15-28(17)23(30)16-6-7-21-19(9-16)20(13-26-21)22(29)27-12-18-5-4-8-31-18/h4-9,13,17,26H,10-12,14-15H2,1-3H3,(H,27,29)
InChIKeyHFPHUGPYWNUHRW-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.73
Rot. Bonds4

About N-(furan-2-ylmethyl)-5-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)-1H-indole-3-carboxamide

N-(furan-2-ylmethyl)-5-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)-1H-indole-3-carboxamide (PubChem CID 57481105) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)-1H-indole-3-carboxamide
PubChem CID57481105
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC NameN-(furan-2-ylmethyl)-5-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)-1H-indole-3-carboxamide
SMILESCC1(C)CC2CC(C)(CN2C(=O)c2ccc3[nH]cc(C(=O)NCc4ccco4)c3c2)C1
InChIInChI=1S/C25H29N3O3/c1-24(2)10-17-11-25(3,14-24)15-28(17)23(30)16-6-7-21-19(9-16)20(13-26-21)22(29)27-12-18-5-4-8-31-18/h4-9,13,17,26H,10-12,14-15H2,1-3H3,(H,27,29)
InChIKeyHFPHUGPYWNUHRW-UHFFFAOYSA-N
XLogP4.73
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[[5-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)-1H-indole-3-carbonyl]amino]propanoate
CID 57456444
5-[1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethenyl]-1H-indole-3-carboxylic acid
CID 89021832
1H-indol-5-yl-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 98131698
1H-indol-6-yl-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 40947418
1-[3-acetyl-2-[5-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)-1H-indol-3-yl]-2H-imidazol-1-yl]ethanone
CID 57456451
furan-2-yl-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 962580
[2-oxo-2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2122621
[2-oxo-2-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] 2-(furan-2-ylmethylamino)benzoate
CID 50937701
3-(cyanomethyl)-N-[[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]methyl]benzamide
CID 91192451
N-(furan-2-yl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carboxamide
CID 108868530
(3,5-dibromophenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
CID 107980322
6-ethyl-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]-1H-pyridin-2-one
CID 74235207

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)-1H-indole-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)-1H-indole-3-carboxamide (CID 57481105) is N-(furan-2-ylmethyl)-5-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)-1H-indole-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)-1H-indole-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)-1H-indole-3-carboxamide is CC1(C)CC2CC(C)(CN2C(=O)c2ccc3[nH]cc(C(=O)NCc4ccco4)c3c2)C1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)-1H-indole-3-carboxamide?
The InChIKey is HFPHUGPYWNUHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-24(2)10-17-11-25(3,14-24)15-28(17)23(30)16-6-7-21-19(9-16)20(13-26-21)22(29)27-12-18-5-4-8-31-18/h4-9,13,17,26H,10-12,14-15H2,1-3H3,(H,27,29).
What are the key properties of N-(furan-2-ylmethyl)-5-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)-1H-indole-3-carboxamide?
N-(furan-2-ylmethyl)-5-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)-1H-indole-3-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 57481105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).