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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-(5-methyl-2-pyridinyl)nicotinamide
CID 17394683
5-Bromo-N-(2-pyridinyl)nicotinamide
CID 3929904
5-bromo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 2532950
6-bromo-3H,4H-pyrido[2,3-d]pyrimidin-4-one
CID 135741586
5-bromo-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 2287991
6-{[(Butylamino)carbonyl]amino}nicotinamide
CID 16654086
5-Bromo-N-(5-(pyrrolidin-1-YL)pentyl)nicotinamide
CID 52936635
5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carbaldehyde
CID 73296029
1-[5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-3-pyridinyl]ethanone
CID 118263691
5-bromo-N-methyl-2-(methylamino)pyridine-3-carboxamide
CID 62170805
6-bromopyrido[2,3-D]pyrimidine-2,4(1H,3H)-dione
CID 23584104
6-bromo-1,8-naphthyridin-4(1H)-one
CID 40152204

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).