8-(2-bromopyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

C14H16BrN3O2 — CID 103755680

IUPAC8-(2-bromopyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(C(=O)c3ccnc(Br)c3)CC2)CN1
InChIInChI=1S/C14H16BrN3O2/c15-11-7-10(1-4-16-11)13(20)18-5-2-14(3-6-18)8-12(19)17-9-14/h1,4,7H,2-3,5-6,8-9H2,(H,17,19)
InChIKeyDZGXEEBKLSMRBP-UHFFFAOYSA-N
MW338.21 g/mol
LogP1.59
Rot. Bonds1

About 8-(2-bromopyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

8-(2-bromopyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 103755680) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 8-(2-bromopyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(2-bromopyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID103755680
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name8-(2-bromopyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(C(=O)c3ccnc(Br)c3)CC2)CN1
InChIInChI=1S/C14H16BrN3O2/c15-11-7-10(1-4-16-11)13(20)18-5-2-14(3-6-18)8-12(19)17-9-14/h1,4,7H,2-3,5-6,8-9H2,(H,17,19)
InChIKeyDZGXEEBKLSMRBP-UHFFFAOYSA-N
XLogP1.59
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

8-azaspiro[4.5]decan-8-yl-(2-bromo-4-pyridinyl)methanone
CID 103755510
8-(2-oxo-1H-pyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 103766120
9-(2-methylpyridine-4-carbonyl)-3,9-diazaspiro[5.5]undecane-2,4-dione
CID 155579356
8-(4-piperidin-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 50951911
8-[3-(2-aminoethoxy)-4-methoxybenzoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 119063300
8-(2-bromo-3-fluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 81499414
(2-bromo-4-pyridinyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 103755134
(2-bromo-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 103752322
8-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70753586
8-(2,3-dihydroxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 114344968
8-(1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 113246543
1-(2-bromopyridine-4-carbonyl)-3-methylpyrrolidine-3-carboxamide
CID 114081850

Frequently Asked Questions

What is the IUPAC name of 8-(2-bromopyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(2-bromopyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (CID 103755680) is 8-(2-bromopyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(2-bromopyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(2-bromopyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is O=C1CC2(CCN(C(=O)c3ccnc(Br)c3)CC2)CN1.
What is the InChIKey of 8-(2-bromopyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is DZGXEEBKLSMRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c15-11-7-10(1-4-16-11)13(20)18-5-2-14(3-6-18)8-12(19)17-9-14/h1,4,7H,2-3,5-6,8-9H2,(H,17,19).
What are the key properties of 8-(2-bromopyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
8-(2-bromopyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 338.21 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-bromopyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 103755680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).