5-bromo-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-3-carboxamide

C13H19BrN2O2 — CID 66180153

IUPAC5-bromo-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-3-carboxamide
SMILESCC(C)CC(C)(O)CNC(=O)c1cncc(Br)c1
InChIInChI=1S/C13H19BrN2O2/c1-9(2)5-13(3,18)8-16-12(17)10-4-11(14)7-15-6-10/h4,6-7,9,18H,5,8H2,1-3H3,(H,16,17)
InChIKeyNRWIPAGERHNZDV-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.37
Rot. Bonds5

About 5-bromo-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-3-carboxamide

5-bromo-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-3-carboxamide (PubChem CID 66180153) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 5-bromo-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-3-carboxamide
PubChem CID66180153
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name5-bromo-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-3-carboxamide
SMILESCC(C)CC(C)(O)CNC(=O)c1cncc(Br)c1
InChIInChI=1S/C13H19BrN2O2/c1-9(2)5-13(3,18)8-16-12(17)10-4-11(14)7-15-6-10/h4,6-7,9,18H,5,8H2,1-3H3,(H,16,17)
InChIKeyNRWIPAGERHNZDV-UHFFFAOYSA-N
XLogP2.37
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-(2-hydroxy-2,4-dimethylpentyl)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-(2-hydroxy-2-methylbutyl)pyridine-3-carboxamide
CID 65111151
5-bromo-N-(2,2-dimethylpropyl)pyridine-3-carboxamide
CID 61381313
5-bromo-N-[(2S,3R)-2-hydroxy-2,3-dimethylpentyl]pyridine-3-carboxamide
CID 97317759
3-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66179359
5-bromo-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]pyridine-3-carboxamide
CID 99873826
5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide
CID 21352689
5-bromo-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-carboxamide
CID 63865625
4-[(5-bromopyridine-3-carbonyl)amino]-2-methylbutanoic acid
CID 80538521
3-amino-4-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66179269
5-bromo-N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]pyridine-3-carboxamide
CID 99873716
ethyl 2-[(5-bromopyridine-3-carbonyl)amino]acetate
CID 3136484
5-bromo-N-(3-bromo-2-methylpropyl)pyridine-3-carboxamide
CID 114313414

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-3-carboxamide (CID 66180153) is 5-bromo-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-3-carboxamide is CC(C)CC(C)(O)CNC(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-3-carboxamide?
The InChIKey is NRWIPAGERHNZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-9(2)5-13(3,18)8-16-12(17)10-4-11(14)7-15-6-10/h4,6-7,9,18H,5,8H2,1-3H3,(H,16,17).
What are the key properties of 5-bromo-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-3-carboxamide?
5-bromo-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-3-carboxamide has a molecular weight of 315.21 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-3-carboxamide is sourced from PubChem (CID 66180153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).