[6-(8-azabicyclo[3.2.1]octane-8-carbonyl)-3-pyridinyl]-(8-azabicyclo[3.2.1]octan-8-yl)methanone

C21H27N3O2 — CID 127433450

IUPAC[6-(8-azabicyclo[3.2.1]octane-8-carbonyl)-3-pyridinyl]-(8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESO=C(c1ccc(C(=O)N2C3CCCC2CC3)nc1)N1C2CCCC1CC2
InChIInChI=1S/C21H27N3O2/c25-20(23-15-3-1-4-16(23)9-8-15)14-7-12-19(22-13-14)21(26)24-17-5-2-6-18(24)11-10-17/h7,12-13,15-18H,1-6,8-11H2
InChIKeyYDEIUTVAWHTZGI-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.40
Rot. Bonds2

About [6-(8-azabicyclo[3.2.1]octane-8-carbonyl)-3-pyridinyl]-(8-azabicyclo[3.2.1]octan-8-yl)methanone

[6-(8-azabicyclo[3.2.1]octane-8-carbonyl)-3-pyridinyl]-(8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 127433450) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is [6-(8-azabicyclo[3.2.1]octane-8-carbonyl)-3-pyridinyl]-(8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name[6-(8-azabicyclo[3.2.1]octane-8-carbonyl)-3-pyridinyl]-(8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID127433450
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name[6-(8-azabicyclo[3.2.1]octane-8-carbonyl)-3-pyridinyl]-(8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESO=C(c1ccc(C(=O)N2C3CCCC2CC3)nc1)N1C2CCCC1CC2
InChIInChI=1S/C21H27N3O2/c25-20(23-15-3-1-4-16(23)9-8-15)14-7-12-19(22-13-14)21(26)24-17-5-2-6-18(24)11-10-17/h7,12-13,15-18H,1-6,8-11H2
InChIKeyYDEIUTVAWHTZGI-UHFFFAOYSA-N
XLogP3.40
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(8-azabicyclo[3.2.1]octane-8-carbonyl)-3-pyridinyl]-(8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of [6-(8-azabicyclo[3.2.1]octane-8-carbonyl)-3-pyridinyl]-(8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 127433450) is [6-(8-azabicyclo[3.2.1]octane-8-carbonyl)-3-pyridinyl]-(8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for [6-(8-azabicyclo[3.2.1]octane-8-carbonyl)-3-pyridinyl]-(8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for [6-(8-azabicyclo[3.2.1]octane-8-carbonyl)-3-pyridinyl]-(8-azabicyclo[3.2.1]octan-8-yl)methanone is O=C(c1ccc(C(=O)N2C3CCCC2CC3)nc1)N1C2CCCC1CC2.
What is the InChIKey of [6-(8-azabicyclo[3.2.1]octane-8-carbonyl)-3-pyridinyl]-(8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is YDEIUTVAWHTZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c25-20(23-15-3-1-4-16(23)9-8-15)14-7-12-19(22-13-14)21(26)24-17-5-2-6-18(24)11-10-17/h7,12-13,15-18H,1-6,8-11H2.
What are the key properties of [6-(8-azabicyclo[3.2.1]octane-8-carbonyl)-3-pyridinyl]-(8-azabicyclo[3.2.1]octan-8-yl)methanone?
[6-(8-azabicyclo[3.2.1]octane-8-carbonyl)-3-pyridinyl]-(8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 353.47 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(8-azabicyclo[3.2.1]octane-8-carbonyl)-3-pyridinyl]-(8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 127433450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).