5-bromo-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide

C11H15BrN2O2 — CID 115772011

IUPAC5-bromo-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide
SMILESCCN(CCCO)C(=O)c1cncc(Br)c1
InChIInChI=1S/C11H15BrN2O2/c1-2-14(4-3-5-15)11(16)9-6-10(12)8-13-7-9/h6-8,15H,2-5H2,1H3
InChIKeyWHJKWUMDKGBMQB-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.69
Rot. Bonds5

About 5-bromo-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide

5-bromo-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide (PubChem CID 115772011) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 5-bromo-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide
PubChem CID115772011
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name5-bromo-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide
SMILESCCN(CCCO)C(=O)c1cncc(Br)c1
InChIInChI=1S/C11H15BrN2O2/c1-2-14(4-3-5-15)11(16)9-6-10(12)8-13-7-9/h6-8,15H,2-5H2,1H3
InChIKeyWHJKWUMDKGBMQB-UHFFFAOYSA-N
XLogP1.69
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-ethyl-N-(3-hydroxypropyl)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,N-dihexylpyridine-3-carboxamide
CID 132587531
N-ethyl-5-hydroxy-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 63850012
5-bromo-2-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 113339390
ethyl 2-[(5-bromopyridine-3-carbonyl)-ethylamino]acetate
CID 54949215
5-bromo-N-ethyl-N-(3-hydroxypropyl)thiophene-3-carboxamide
CID 115771703
N-[3-(diethylamino)propyl]-N-ethyl-5-hydroxypyridine-3-carboxamide
CID 102993953
5-bromo-N-[3-(diethylamino)propyl]pyridine-3-carboxamide
CID 60628479
3-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide
CID 113339415
4-bromo-N-ethyl-3-fluoro-N-(3-hydroxypropyl)benzamide
CID 115772086
N-ethyl-N-(2-hydroxyethyl)-5-phenylpyridine-3-carboxamide
CID 109468089
N-ethyl-5-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]pyridine-3-carboxamide
CID 114263707
N,4-diethyl-N-(3-hydroxypropyl)benzamide
CID 115771638

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide (CID 115772011) is 5-bromo-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide is CCN(CCCO)C(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide?
The InChIKey is WHJKWUMDKGBMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-2-14(4-3-5-15)11(16)9-6-10(12)8-13-7-9/h6-8,15H,2-5H2,1H3.
What are the key properties of 5-bromo-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide?
5-bromo-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide has a molecular weight of 287.16 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide is sourced from PubChem (CID 115772011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).