5-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyridine-2-carboxamide

C12H18BrN3O2 — CID 103840031

IUPAC5-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyridine-2-carboxamide
SMILESCN(C)CC(C)(O)CNC(=O)c1ccc(Br)cn1
InChIInChI=1S/C12H18BrN3O2/c1-12(18,8-16(2)3)7-15-11(17)10-5-4-9(13)6-14-10/h4-6,18H,7-8H2,1-3H3,(H,15,17)
InChIKeyADEURPASOMQPLS-UHFFFAOYSA-N
MW316.20 g/mol
LogP0.89
Rot. Bonds5

About 5-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyridine-2-carboxamide

5-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyridine-2-carboxamide (PubChem CID 103840031) has the molecular formula C12H18BrN3O2 and a molecular weight of 316.20 g/mol. Its IUPAC name is 5-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyridine-2-carboxamide
PubChem CID103840031
Molecular FormulaC12H18BrN3O2
Molecular Weight316.20 g/mol
Exact Mass315.06
IUPAC Name5-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyridine-2-carboxamide
SMILESCN(C)CC(C)(O)CNC(=O)c1ccc(Br)cn1
InChIInChI=1S/C12H18BrN3O2/c1-12(18,8-16(2)3)7-15-11(17)10-5-4-9(13)6-14-10/h4-6,18H,7-8H2,1-3H3,(H,15,17)
InChIKeyADEURPASOMQPLS-UHFFFAOYSA-N
XLogP0.89
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyridine-2-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

4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 113322189
3-[(5-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427045
5-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-hydroxybenzamide
CID 103841103
4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzamide
CID 103839610
5-bromo-N-[2-(bromomethyl)-2-ethylbutyl]pyridine-2-carboxamide
CID 106255667
5-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-fluorobenzamide
CID 103839807
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-6-methylpyrimidine-4-carboxamide
CID 114219723
3-(4-bromophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide
CID 103839832
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 103840160
5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 62954201
4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylpyrrole-2-carboxamide
CID 103839927
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-fluoropyridine-3-carboxamide
CID 103940270

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyridine-2-carboxamide (CID 103840031) is 5-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyridine-2-carboxamide is CN(C)CC(C)(O)CNC(=O)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyridine-2-carboxamide?
The InChIKey is ADEURPASOMQPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O2/c1-12(18,8-16(2)3)7-15-11(17)10-5-4-9(13)6-14-10/h4-6,18H,7-8H2,1-3H3,(H,15,17).
What are the key properties of 5-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyridine-2-carboxamide?
5-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyridine-2-carboxamide has a molecular weight of 316.20 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyridine-2-carboxamide is sourced from PubChem (CID 103840031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).