5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(methylamino)pyridine-3-carboxamide

C13H20BrN3O2 — CID 79386356

IUPAC5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(methylamino)pyridine-3-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1cc(Br)cnc1NC
InChIInChI=1S/C13H20BrN3O2/c1-5-17(8-13(2,3)19)12(18)10-6-9(14)7-16-11(10)15-4/h6-7,19H,5,8H2,1-4H3,(H,15,16)
InChIKeyHNYGXQXUXPMGLN-UHFFFAOYSA-N
MW330.23 g/mol
LogP2.12
Rot. Bonds5

About 5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(methylamino)pyridine-3-carboxamide

5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(methylamino)pyridine-3-carboxamide (PubChem CID 79386356) has the molecular formula C13H20BrN3O2 and a molecular weight of 330.23 g/mol. Its IUPAC name is 5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(methylamino)pyridine-3-carboxamide
PubChem CID79386356
Molecular FormulaC13H20BrN3O2
Molecular Weight330.23 g/mol
Exact Mass329.07
IUPAC Name5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(methylamino)pyridine-3-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1cc(Br)cnc1NC
InChIInChI=1S/C13H20BrN3O2/c1-5-17(8-13(2,3)19)12(18)10-6-9(14)7-16-11(10)15-4/h6-7,19H,5,8H2,1-4H3,(H,15,16)
InChIKeyHNYGXQXUXPMGLN-UHFFFAOYSA-N
XLogP2.12
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(methylamino)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(methylamino)pyridine-3-carboxamide (CID 79386356) is 5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(methylamino)pyridine-3-carboxamide is CCN(CC(C)(C)O)C(=O)c1cc(Br)cnc1NC.
What is the InChIKey of 5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(methylamino)pyridine-3-carboxamide?
The InChIKey is HNYGXQXUXPMGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O2/c1-5-17(8-13(2,3)19)12(18)10-6-9(14)7-16-11(10)15-4/h6-7,19H,5,8H2,1-4H3,(H,15,16).
What are the key properties of 5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(methylamino)pyridine-3-carboxamide?
5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(methylamino)pyridine-3-carboxamide has a molecular weight of 330.23 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 79386356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).