(5R)-9-(3-bromo-5-methyl-2-pyridinyl)-6-methyl-2-oxa-6,9-diazaspiro[4.5]decane

C14H20BrN3O — CID 164635335

IUPAC(5R)-9-(3-bromo-5-methyl-2-pyridinyl)-6-methyl-2-oxa-6,9-diazaspiro[4.5]decane
SMILESCc1cnc(N2CCN(C)[C@]3(CCOC3)C2)c(Br)c1
InChIInChI=1S/C14H20BrN3O/c1-11-7-12(15)13(16-8-11)18-5-4-17(2)14(9-18)3-6-19-10-14/h7-8H,3-6,9-10H2,1-2H3/t14-/m1/s1
InChIKeyGKJWCDGSKKBYIG-CQSZACIVSA-N
MW326.24 g/mol
LogP2.06
Rot. Bonds1

About (5R)-9-(3-bromo-5-methyl-2-pyridinyl)-6-methyl-2-oxa-6,9-diazaspiro[4.5]decane

(5R)-9-(3-bromo-5-methyl-2-pyridinyl)-6-methyl-2-oxa-6,9-diazaspiro[4.5]decane (PubChem CID 164635335) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is (5R)-9-(3-bromo-5-methyl-2-pyridinyl)-6-methyl-2-oxa-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5R)-9-(3-bromo-5-methyl-2-pyridinyl)-6-methyl-2-oxa-6,9-diazaspiro[4.5]decane
PubChem CID164635335
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name(5R)-9-(3-bromo-5-methyl-2-pyridinyl)-6-methyl-2-oxa-6,9-diazaspiro[4.5]decane
SMILESCc1cnc(N2CCN(C)[C@]3(CCOC3)C2)c(Br)c1
InChIInChI=1S/C14H20BrN3O/c1-11-7-12(15)13(16-8-11)18-5-4-17(2)14(9-18)3-6-19-10-14/h7-8H,3-6,9-10H2,1-2H3/t14-/m1/s1
InChIKeyGKJWCDGSKKBYIG-CQSZACIVSA-N
XLogP2.06
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-9-(3-bromo-5-methyl-2-pyridinyl)-6-methyl-2-oxa-6,9-diazaspiro[4.5]decane?
The IUPAC name of (5R)-9-(3-bromo-5-methyl-2-pyridinyl)-6-methyl-2-oxa-6,9-diazaspiro[4.5]decane (CID 164635335) is (5R)-9-(3-bromo-5-methyl-2-pyridinyl)-6-methyl-2-oxa-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for (5R)-9-(3-bromo-5-methyl-2-pyridinyl)-6-methyl-2-oxa-6,9-diazaspiro[4.5]decane?
The canonical SMILES for (5R)-9-(3-bromo-5-methyl-2-pyridinyl)-6-methyl-2-oxa-6,9-diazaspiro[4.5]decane is Cc1cnc(N2CCN(C)[C@]3(CCOC3)C2)c(Br)c1.
What is the InChIKey of (5R)-9-(3-bromo-5-methyl-2-pyridinyl)-6-methyl-2-oxa-6,9-diazaspiro[4.5]decane?
The InChIKey is GKJWCDGSKKBYIG-CQSZACIVSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-11-7-12(15)13(16-8-11)18-5-4-17(2)14(9-18)3-6-19-10-14/h7-8H,3-6,9-10H2,1-2H3/t14-/m1/s1.
What are the key properties of (5R)-9-(3-bromo-5-methyl-2-pyridinyl)-6-methyl-2-oxa-6,9-diazaspiro[4.5]decane?
(5R)-9-(3-bromo-5-methyl-2-pyridinyl)-6-methyl-2-oxa-6,9-diazaspiro[4.5]decane has a molecular weight of 326.24 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-(3-bromo-5-methyl-2-pyridinyl)-6-methyl-2-oxa-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 164635335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).