(2-amino-5-bromo-3-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone

C13H18BrN3O — CID 104968760

IUPAC(2-amino-5-bromo-3-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)c1cc(Br)cnc1N
InChIInChI=1S/C13H18BrN3O/c1-8-4-3-5-9(2)17(8)13(18)11-6-10(14)7-16-12(11)15/h6-9H,3-5H2,1-2H3,(H2,15,16)/t8-,9+
InChIKeyUSHVNZIPPBPARZ-DTORHVGOSA-N
MW312.21 g/mol
LogP2.83
Rot. Bonds1

About (2-amino-5-bromo-3-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone

(2-amino-5-bromo-3-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone (PubChem CID 104968760) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is (2-amino-5-bromo-3-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-5-bromo-3-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
PubChem CID104968760
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name(2-amino-5-bromo-3-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)c1cc(Br)cnc1N
InChIInChI=1S/C13H18BrN3O/c1-8-4-3-5-9(2)17(8)13(18)11-6-10(14)7-16-12(11)15/h6-9H,3-5H2,1-2H3,(H2,15,16)/t8-,9+
InChIKeyUSHVNZIPPBPARZ-DTORHVGOSA-N
XLogP2.83
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-amino-5-bromo-3-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone?
The IUPAC name of (2-amino-5-bromo-3-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone (CID 104968760) is (2-amino-5-bromo-3-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone.
What is the SMILES notation for (2-amino-5-bromo-3-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone?
The canonical SMILES for (2-amino-5-bromo-3-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone is C[C@@H]1CCC[C@H](C)N1C(=O)c1cc(Br)cnc1N.
What is the InChIKey of (2-amino-5-bromo-3-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone?
The InChIKey is USHVNZIPPBPARZ-DTORHVGOSA-N. The full InChI is InChI=1S/C13H18BrN3O/c1-8-4-3-5-9(2)17(8)13(18)11-6-10(14)7-16-12(11)15/h6-9H,3-5H2,1-2H3,(H2,15,16)/t8-,9+.
What are the key properties of (2-amino-5-bromo-3-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone?
(2-amino-5-bromo-3-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone has a molecular weight of 312.21 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-bromo-3-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone is sourced from PubChem (CID 104968760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).