bis(6-pyridin-3-yl-2,6-diazaspiro[3.3]heptan-2-yl)methanone

C21H24N6O — CID 172702037

IUPACbis(6-pyridin-3-yl-2,6-diazaspiro[3.3]heptan-2-yl)methanone
SMILESO=C(N1CC2(C1)CN(c1cccnc1)C2)N1CC2(C1)CN(c1cccnc1)C2
InChIInChI=1S/C21H24N6O/c28-19(26-13-20(14-26)9-24(10-20)17-3-1-5-22-7-17)27-15-21(16-27)11-25(12-21)18-4-2-6-23-8-18/h1-8H,9-16H2
InChIKeyDBZCDOMPXCRLEG-UHFFFAOYSA-N
MW376.46 g/mol
LogP1.54
Rot. Bonds2

About bis(6-pyridin-3-yl-2,6-diazaspiro[3.3]heptan-2-yl)methanone

bis(6-pyridin-3-yl-2,6-diazaspiro[3.3]heptan-2-yl)methanone (PubChem CID 172702037) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is bis(6-pyridin-3-yl-2,6-diazaspiro[3.3]heptan-2-yl)methanone.

Molecular Properties

Compound Namebis(6-pyridin-3-yl-2,6-diazaspiro[3.3]heptan-2-yl)methanone
PubChem CID172702037
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Namebis(6-pyridin-3-yl-2,6-diazaspiro[3.3]heptan-2-yl)methanone
SMILESO=C(N1CC2(C1)CN(c1cccnc1)C2)N1CC2(C1)CN(c1cccnc1)C2
InChIInChI=1S/C21H24N6O/c28-19(26-13-20(14-26)9-24(10-20)17-3-1-5-22-7-17)27-15-21(16-27)11-25(12-21)18-4-2-6-23-8-18/h1-8H,9-16H2
InChIKeyDBZCDOMPXCRLEG-UHFFFAOYSA-N
XLogP1.54
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis(6-pyridin-3-yl-2,6-diazaspiro[3.3]heptan-2-yl)methanone?
The IUPAC name of bis(6-pyridin-3-yl-2,6-diazaspiro[3.3]heptan-2-yl)methanone (CID 172702037) is bis(6-pyridin-3-yl-2,6-diazaspiro[3.3]heptan-2-yl)methanone.
What is the SMILES notation for bis(6-pyridin-3-yl-2,6-diazaspiro[3.3]heptan-2-yl)methanone?
The canonical SMILES for bis(6-pyridin-3-yl-2,6-diazaspiro[3.3]heptan-2-yl)methanone is O=C(N1CC2(C1)CN(c1cccnc1)C2)N1CC2(C1)CN(c1cccnc1)C2.
What is the InChIKey of bis(6-pyridin-3-yl-2,6-diazaspiro[3.3]heptan-2-yl)methanone?
The InChIKey is DBZCDOMPXCRLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c28-19(26-13-20(14-26)9-24(10-20)17-3-1-5-22-7-17)27-15-21(16-27)11-25(12-21)18-4-2-6-23-8-18/h1-8H,9-16H2.
What are the key properties of bis(6-pyridin-3-yl-2,6-diazaspiro[3.3]heptan-2-yl)methanone?
bis(6-pyridin-3-yl-2,6-diazaspiro[3.3]heptan-2-yl)methanone has a molecular weight of 376.46 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-pyridin-3-yl-2,6-diazaspiro[3.3]heptan-2-yl)methanone is sourced from PubChem (CID 172702037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).