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

C27H34N4O — CID 154641112

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide
SMILESCc1cc(-c2[nH]c3ccc(C(C)C(=O)NC4CN5CCC4CC5)cc3c2C(C)C)ccn1
InChIInChI=1S/C27H34N4O/c1-16(2)25-22-14-20(5-6-23(22)29-26(25)21-7-10-28-17(3)13-21)18(4)27(32)30-24-15-31-11-8-19(24)9-12-31/h5-7,10,13-14,16,18-19,24,29H,8-9,11-12,15H2,1-4H3,(H,30,32)
InChIKeyZJPATDYWOWNUGV-UHFFFAOYSA-N
MW430.60 g/mol
LogP4.98
Rot. Bonds5

About N-(1-azabicyclo[2.2.2]octan-3-yl)-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-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide (PubChem CID 154641112) has the molecular formula C27H34N4O and a molecular weight of 430.60 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-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-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide
PubChem CID154641112
Molecular FormulaC27H34N4O
Molecular Weight430.60 g/mol
Exact Mass430.27
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide
SMILESCc1cc(-c2[nH]c3ccc(C(C)C(=O)NC4CN5CCC4CC5)cc3c2C(C)C)ccn1
InChIInChI=1S/C27H34N4O/c1-16(2)25-22-14-20(5-6-23(22)29-26(25)21-7-10-28-17(3)13-21)18(4)27(32)30-24-15-31-11-8-19(24)9-12-31/h5-7,10,13-14,16,18-19,24,29H,8-9,11-12,15H2,1-4H3,(H,30,32)
InChIKeyZJPATDYWOWNUGV-UHFFFAOYSA-N
XLogP4.98
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.60
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-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-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide (CID 154641112) is N-(1-azabicyclo[2.2.2]octan-3-yl)-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-[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-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide is Cc1cc(-c2[nH]c3ccc(C(C)C(=O)NC4CN5CCC4CC5)cc3c2C(C)C)ccn1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide?
The InChIKey is ZJPATDYWOWNUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O/c1-16(2)25-22-14-20(5-6-23(22)29-26(25)21-7-10-28-17(3)13-21)18(4)27(32)30-24-15-31-11-8-19(24)9-12-31/h5-7,10,13-14,16,18-19,24,29H,8-9,11-12,15H2,1-4H3,(H,30,32).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-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-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide has a molecular weight of 430.60 g/mol, XLogP of 4.98, 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-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide is sourced from PubChem (CID 154641112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).