N-[6-(3-azabicyclo[4.3.1]decan-3-yl)-3-pyridinyl]-2-(2-azabicyclo[2.2.2]octan-2-yl)acetamide

C23H34N4O — CID 167176056

IUPACN-[6-(3-azabicyclo[4.3.1]decan-3-yl)-3-pyridinyl]-2-(2-azabicyclo[2.2.2]octan-2-yl)acetamide
SMILESO=C(CN1CC2CCC1CC2)Nc1ccc(N2CCC3CCCC(C3)C2)nc1
InChIInChI=1S/C23H34N4O/c28-23(16-27-14-18-4-7-21(27)8-5-18)25-20-6-9-22(24-13-20)26-11-10-17-2-1-3-19(12-17)15-26/h6,9,13,17-19,21H,1-5,7-8,10-12,14-16H2,(H,25,28)
InChIKeyWXYNELPUTLFKHD-UHFFFAOYSA-N
MW382.55 g/mol
LogP3.91
Rot. Bonds4

About N-[6-(3-azabicyclo[4.3.1]decan-3-yl)-3-pyridinyl]-2-(2-azabicyclo[2.2.2]octan-2-yl)acetamide

N-[6-(3-azabicyclo[4.3.1]decan-3-yl)-3-pyridinyl]-2-(2-azabicyclo[2.2.2]octan-2-yl)acetamide (PubChem CID 167176056) has the molecular formula C23H34N4O and a molecular weight of 382.55 g/mol. Its IUPAC name is N-[6-(3-azabicyclo[4.3.1]decan-3-yl)-3-pyridinyl]-2-(2-azabicyclo[2.2.2]octan-2-yl)acetamide.

Molecular Properties

Compound NameN-[6-(3-azabicyclo[4.3.1]decan-3-yl)-3-pyridinyl]-2-(2-azabicyclo[2.2.2]octan-2-yl)acetamide
PubChem CID167176056
Molecular FormulaC23H34N4O
Molecular Weight382.55 g/mol
Exact Mass382.27
IUPAC NameN-[6-(3-azabicyclo[4.3.1]decan-3-yl)-3-pyridinyl]-2-(2-azabicyclo[2.2.2]octan-2-yl)acetamide
SMILESO=C(CN1CC2CCC1CC2)Nc1ccc(N2CCC3CCCC(C3)C2)nc1
InChIInChI=1S/C23H34N4O/c28-23(16-27-14-18-4-7-21(27)8-5-18)25-20-6-9-22(24-13-20)26-11-10-17-2-1-3-19(12-17)15-26/h6,9,13,17-19,21H,1-5,7-8,10-12,14-16H2,(H,25,28)
InChIKeyWXYNELPUTLFKHD-UHFFFAOYSA-N
XLogP3.91
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-azabicyclo[2.2.2]octan-2-yl)-N-[6-(azepan-1-yl)-3-pyridinyl]acetamide
CID 155402749
2-(2-azabicyclo[2.2.2]octan-2-yl)-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]acetamide
CID 155402796
N-[6-(3-azabicyclo[3.2.2]nonan-3-yl)-3-pyridinyl]-2-(8-azabicyclo[3.2.1]octan-8-yl)acetamide
CID 166024726
N-[6-(azepan-1-yl)-3-pyridinyl]-2-piperidin-1-ylacetamide
CID 155391895
2-amino-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]acetamide
CID 82034957
2-(4-cyclobutyl-6-methyl-1,4-diazepan-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide
CID 136544531
2-amino-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]acetamide
CID 39181827
2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(5-formamido-6-methyl-3-pyridinyl)acetamide
CID 170635353
N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cyclohexylamino)acetamide
CID 155391840
N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cycloheptylamino)acetamide
CID 155391842
N-[2-oxo-2-[(6-piperidin-1-yl-3-pyridinyl)amino]ethyl]adamantane-1-carboxamide
CID 46519976
3-cyclopentyl-N-(6-piperidin-1-yl-3-pyridinyl)propanamide
CID 52549781

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-azabicyclo[4.3.1]decan-3-yl)-3-pyridinyl]-2-(2-azabicyclo[2.2.2]octan-2-yl)acetamide?
The IUPAC name of N-[6-(3-azabicyclo[4.3.1]decan-3-yl)-3-pyridinyl]-2-(2-azabicyclo[2.2.2]octan-2-yl)acetamide (CID 167176056) is N-[6-(3-azabicyclo[4.3.1]decan-3-yl)-3-pyridinyl]-2-(2-azabicyclo[2.2.2]octan-2-yl)acetamide.
What is the SMILES notation for N-[6-(3-azabicyclo[4.3.1]decan-3-yl)-3-pyridinyl]-2-(2-azabicyclo[2.2.2]octan-2-yl)acetamide?
The canonical SMILES for N-[6-(3-azabicyclo[4.3.1]decan-3-yl)-3-pyridinyl]-2-(2-azabicyclo[2.2.2]octan-2-yl)acetamide is O=C(CN1CC2CCC1CC2)Nc1ccc(N2CCC3CCCC(C3)C2)nc1.
What is the InChIKey of N-[6-(3-azabicyclo[4.3.1]decan-3-yl)-3-pyridinyl]-2-(2-azabicyclo[2.2.2]octan-2-yl)acetamide?
The InChIKey is WXYNELPUTLFKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O/c28-23(16-27-14-18-4-7-21(27)8-5-18)25-20-6-9-22(24-13-20)26-11-10-17-2-1-3-19(12-17)15-26/h6,9,13,17-19,21H,1-5,7-8,10-12,14-16H2,(H,25,28).
What are the key properties of N-[6-(3-azabicyclo[4.3.1]decan-3-yl)-3-pyridinyl]-2-(2-azabicyclo[2.2.2]octan-2-yl)acetamide?
N-[6-(3-azabicyclo[4.3.1]decan-3-yl)-3-pyridinyl]-2-(2-azabicyclo[2.2.2]octan-2-yl)acetamide has a molecular weight of 382.55 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-azabicyclo[4.3.1]decan-3-yl)-3-pyridinyl]-2-(2-azabicyclo[2.2.2]octan-2-yl)acetamide is sourced from PubChem (CID 167176056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).