8-(2-amino-5-bromo-3-chloro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one

C13H16BrClN4O — CID 90111976

IUPAC8-(2-amino-5-bromo-3-chloro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESNc1ncc(Br)c(N2CCC3(CCNC3=O)CC2)c1Cl
InChIInChI=1S/C13H16BrClN4O/c14-8-7-18-11(16)9(15)10(8)19-5-2-13(3-6-19)1-4-17-12(13)20/h7H,1-6H2,(H2,16,18)(H,17,20)
InChIKeyMKFHWBYHTRLMLB-UHFFFAOYSA-N
MW359.66 g/mol
LogP2.19
Rot. Bonds1

About 8-(2-amino-5-bromo-3-chloro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one

8-(2-amino-5-bromo-3-chloro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 90111976) has the molecular formula C13H16BrClN4O and a molecular weight of 359.66 g/mol. Its IUPAC name is 8-(2-amino-5-bromo-3-chloro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(2-amino-5-bromo-3-chloro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID90111976
Molecular FormulaC13H16BrClN4O
Molecular Weight359.66 g/mol
Exact Mass358.02
IUPAC Name8-(2-amino-5-bromo-3-chloro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESNc1ncc(Br)c(N2CCC3(CCNC3=O)CC2)c1Cl
InChIInChI=1S/C13H16BrClN4O/c14-8-7-18-11(16)9(15)10(8)19-5-2-13(3-6-19)1-4-17-12(13)20/h7H,1-6H2,(H2,16,18)(H,17,20)
InChIKeyMKFHWBYHTRLMLB-UHFFFAOYSA-N
XLogP2.19
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.66
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2-amino-5-bromo-3-chloro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(2-amino-5-bromo-3-chloro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one (CID 90111976) is 8-(2-amino-5-bromo-3-chloro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(2-amino-5-bromo-3-chloro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(2-amino-5-bromo-3-chloro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one is Nc1ncc(Br)c(N2CCC3(CCNC3=O)CC2)c1Cl.
What is the InChIKey of 8-(2-amino-5-bromo-3-chloro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is MKFHWBYHTRLMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN4O/c14-8-7-18-11(16)9(15)10(8)19-5-2-13(3-6-19)1-4-17-12(13)20/h7H,1-6H2,(H2,16,18)(H,17,20).
What are the key properties of 8-(2-amino-5-bromo-3-chloro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one?
8-(2-amino-5-bromo-3-chloro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 359.66 g/mol, XLogP of 2.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-amino-5-bromo-3-chloro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 90111976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).