(3-bromo-2-pyridinyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone

C15H20BrN3O — CID 107520321

IUPAC(3-bromo-2-pyridinyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
SMILESO=C(c1ncccc1Br)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C15H20BrN3O/c16-12-4-1-8-18-13(12)14(20)19-9-3-6-15(11-19)5-2-7-17-10-15/h1,4,8,17H,2-3,5-7,9-11H2
InChIKeyAXJOSQXREUVYRQ-UHFFFAOYSA-N
MW338.25 g/mol
LogP2.45
Rot. Bonds1

About (3-bromo-2-pyridinyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone

(3-bromo-2-pyridinyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone (PubChem CID 107520321) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is (3-bromo-2-pyridinyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone.

Molecular Properties

Compound Name(3-bromo-2-pyridinyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
PubChem CID107520321
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name(3-bromo-2-pyridinyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
SMILESO=C(c1ncccc1Br)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C15H20BrN3O/c16-12-4-1-8-18-13(12)14(20)19-9-3-6-15(11-19)5-2-7-17-10-15/h1,4,8,17H,2-3,5-7,9-11H2
InChIKeyAXJOSQXREUVYRQ-UHFFFAOYSA-N
XLogP2.45
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-bromo-2-pyridinyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(2,9-diazaspiro[4.5]decane-2-carbonyl)pyrazin-2-yl]-piperidin-1-ylmethanone;hydrochloride
CID 154888814
(3-bromo-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 66715242
2,8-diazaspiro[5.5]undecan-2-yl-(2,6-dichlorophenyl)methanone
CID 102849563
(3-bromophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849851
(3-bromo-2-pyridinyl)-(1,4-diazaspiro[5.5]undecan-1-yl)methanone
CID 107520090
(2-bromo-4-methylphenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849898
(4-bromo-3-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849604
(3-hydroxy-2-pyridinyl)-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)methanone
CID 56756209
2,8-diazaspiro[5.5]undecan-2-yl-(3-iodophenyl)methanone
CID 102849918
3-(2,8-diazaspiro[5.5]undecane-2-carbonyl)-1H-pyridin-2-one
CID 102849780
2-[(5R)-2,9-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid
CID 95228465
6-(2,8-diazaspiro[5.5]undecane-2-carbonyl)pyridine-3-carbonitrile
CID 102849542

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-pyridinyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone?
The IUPAC name of (3-bromo-2-pyridinyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone (CID 107520321) is (3-bromo-2-pyridinyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone.
What is the SMILES notation for (3-bromo-2-pyridinyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone?
The canonical SMILES for (3-bromo-2-pyridinyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone is O=C(c1ncccc1Br)N1CCCC2(CCCNC2)C1.
What is the InChIKey of (3-bromo-2-pyridinyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone?
The InChIKey is AXJOSQXREUVYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c16-12-4-1-8-18-13(12)14(20)19-9-3-6-15(11-19)5-2-7-17-10-15/h1,4,8,17H,2-3,5-7,9-11H2.
What are the key properties of (3-bromo-2-pyridinyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone?
(3-bromo-2-pyridinyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone has a molecular weight of 338.25 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-pyridinyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone is sourced from PubChem (CID 107520321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).