2-(2-azabicyclo[2.2.2]octan-2-yl)-N-[6-(azepan-1-yl)-3-pyridinyl]acetamide

C20H30N4O — CID 155402749

IUPAC2-(2-azabicyclo[2.2.2]octan-2-yl)-N-[6-(azepan-1-yl)-3-pyridinyl]acetamide
SMILESO=C(CN1CC2CCC1CC2)Nc1ccc(N2CCCCCC2)nc1
InChIInChI=1S/C20H30N4O/c25-20(15-24-14-16-5-8-18(24)9-6-16)22-17-7-10-19(21-13-17)23-11-3-1-2-4-12-23/h7,10,13,16,18H,1-6,8-9,11-12,14-15H2,(H,22,25)
InChIKeyLRSRIPKTAONJOS-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.27
Rot. Bonds4

About 2-(2-azabicyclo[2.2.2]octan-2-yl)-N-[6-(azepan-1-yl)-3-pyridinyl]acetamide

2-(2-azabicyclo[2.2.2]octan-2-yl)-N-[6-(azepan-1-yl)-3-pyridinyl]acetamide (PubChem CID 155402749) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 2-(2-azabicyclo[2.2.2]octan-2-yl)-N-[6-(azepan-1-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(2-azabicyclo[2.2.2]octan-2-yl)-N-[6-(azepan-1-yl)-3-pyridinyl]acetamide
PubChem CID155402749
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name2-(2-azabicyclo[2.2.2]octan-2-yl)-N-[6-(azepan-1-yl)-3-pyridinyl]acetamide
SMILESO=C(CN1CC2CCC1CC2)Nc1ccc(N2CCCCCC2)nc1
InChIInChI=1S/C20H30N4O/c25-20(15-24-14-16-5-8-18(24)9-6-16)22-17-7-10-19(21-13-17)23-11-3-1-2-4-12-23/h7,10,13,16,18H,1-6,8-9,11-12,14-15H2,(H,22,25)
InChIKeyLRSRIPKTAONJOS-UHFFFAOYSA-N
XLogP3.27
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-azabicyclo[2.2.2]octan-2-yl)-N-[6-(azepan-1-yl)-3-pyridinyl]acetamide with MolForge

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Related Compounds

2-(2-azabicyclo[2.2.2]octan-2-yl)-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]acetamide
CID 155402796
N-[6-(3-azabicyclo[4.3.1]decan-3-yl)-3-pyridinyl]-2-(2-azabicyclo[2.2.2]octan-2-yl)acetamide
CID 167176056
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
N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cyclohexylamino)acetamide
CID 155391840
N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cycloheptylamino)acetamide
CID 155391842
3-cyclopentyl-N-(6-piperidin-1-yl-3-pyridinyl)propanamide
CID 52549781
2-(4-cyclobutyl-6-methyl-1,4-diazepan-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide
CID 136544531
2-(1,1-dioxothiolan-3-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide
CID 71943578
N-(6-piperidin-1-yl-3-pyridinyl)pentanamide
CID 18144003
2-(3,3-dimethylpiperidin-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide
CID 136525298
3-(cyclohexylcarbamoylamino)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 16622915

Frequently Asked Questions

What is the IUPAC name of 2-(2-azabicyclo[2.2.2]octan-2-yl)-N-[6-(azepan-1-yl)-3-pyridinyl]acetamide?
The IUPAC name of 2-(2-azabicyclo[2.2.2]octan-2-yl)-N-[6-(azepan-1-yl)-3-pyridinyl]acetamide (CID 155402749) is 2-(2-azabicyclo[2.2.2]octan-2-yl)-N-[6-(azepan-1-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(2-azabicyclo[2.2.2]octan-2-yl)-N-[6-(azepan-1-yl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(2-azabicyclo[2.2.2]octan-2-yl)-N-[6-(azepan-1-yl)-3-pyridinyl]acetamide is O=C(CN1CC2CCC1CC2)Nc1ccc(N2CCCCCC2)nc1.
What is the InChIKey of 2-(2-azabicyclo[2.2.2]octan-2-yl)-N-[6-(azepan-1-yl)-3-pyridinyl]acetamide?
The InChIKey is LRSRIPKTAONJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c25-20(15-24-14-16-5-8-18(24)9-6-16)22-17-7-10-19(21-13-17)23-11-3-1-2-4-12-23/h7,10,13,16,18H,1-6,8-9,11-12,14-15H2,(H,22,25).
What are the key properties of 2-(2-azabicyclo[2.2.2]octan-2-yl)-N-[6-(azepan-1-yl)-3-pyridinyl]acetamide?
2-(2-azabicyclo[2.2.2]octan-2-yl)-N-[6-(azepan-1-yl)-3-pyridinyl]acetamide has a molecular weight of 342.49 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azabicyclo[2.2.2]octan-2-yl)-N-[6-(azepan-1-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 155402749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).