N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide

C28H36N4O — CID 150054115

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide
SMILESCc1cc(-c2[nH]c3ccc(C(C)(C)C(=O)NC4CN5CCC4CC5)cc3c2C(C)C)ccn1
InChIInChI=1S/C28H36N4O/c1-17(2)25-22-15-21(6-7-23(22)30-26(25)20-8-11-29-18(3)14-20)28(4,5)27(33)31-24-16-32-12-9-19(24)10-13-32/h6-8,11,14-15,17,19,24,30H,9-10,12-13,16H2,1-5H3,(H,31,33)
InChIKeyDLXQMPIAJKJZTD-UHFFFAOYSA-N
MW444.62 g/mol
LogP5.15
Rot. Bonds5

About N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide (PubChem CID 150054115) has the molecular formula C28H36N4O and a molecular weight of 444.62 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide
PubChem CID150054115
Molecular FormulaC28H36N4O
Molecular Weight444.62 g/mol
Exact Mass444.29
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide
SMILESCc1cc(-c2[nH]c3ccc(C(C)(C)C(=O)NC4CN5CCC4CC5)cc3c2C(C)C)ccn1
InChIInChI=1S/C28H36N4O/c1-17(2)25-22-15-21(6-7-23(22)30-26(25)20-8-11-29-18(3)14-20)28(4,5)27(33)31-24-16-32-12-9-19(24)10-13-32/h6-8,11,14-15,17,19,24,30H,9-10,12-13,16H2,1-5H3,(H,31,33)
InChIKeyDLXQMPIAJKJZTD-UHFFFAOYSA-N
XLogP5.15
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.62
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide (CID 150054115) is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide is Cc1cc(-c2[nH]c3ccc(C(C)(C)C(=O)NC4CN5CCC4CC5)cc3c2C(C)C)ccn1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide?
The InChIKey is DLXQMPIAJKJZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O/c1-17(2)25-22-15-21(6-7-23(22)30-26(25)20-8-11-29-18(3)14-20)28(4,5)27(33)31-24-16-32-12-9-19(24)10-13-32/h6-8,11,14-15,17,19,24,30H,9-10,12-13,16H2,1-5H3,(H,31,33).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide has a molecular weight of 444.62 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 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)-2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide is sourced from PubChem (CID 150054115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).