2-bromo-N-[2-(2-fluorophenoxy)propyl]-6-methylpyridine-3-carboxamide

C16H16BrFN2O2 — CID 71909521

IUPAC2-bromo-N-[2-(2-fluorophenoxy)propyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC(C)Oc2ccccc2F)c(Br)n1
InChIInChI=1S/C16H16BrFN2O2/c1-10-7-8-12(15(17)20-10)16(21)19-9-11(2)22-14-6-4-3-5-13(14)18/h3-8,11H,9H2,1-2H3,(H,19,21)
InChIKeySDRLPNLOCCAGHQ-UHFFFAOYSA-N
MW367.22 g/mol
LogP3.49
Rot. Bonds5

About 2-bromo-N-[2-(2-fluorophenoxy)propyl]-6-methylpyridine-3-carboxamide

2-bromo-N-[2-(2-fluorophenoxy)propyl]-6-methylpyridine-3-carboxamide (PubChem CID 71909521) has the molecular formula C16H16BrFN2O2 and a molecular weight of 367.22 g/mol. Its IUPAC name is 2-bromo-N-[2-(2-fluorophenoxy)propyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[2-(2-fluorophenoxy)propyl]-6-methylpyridine-3-carboxamide
PubChem CID71909521
Molecular FormulaC16H16BrFN2O2
Molecular Weight367.22 g/mol
Exact Mass366.04
IUPAC Name2-bromo-N-[2-(2-fluorophenoxy)propyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC(C)Oc2ccccc2F)c(Br)n1
InChIInChI=1S/C16H16BrFN2O2/c1-10-7-8-12(15(17)20-10)16(21)19-9-11(2)22-14-6-4-3-5-13(14)18/h3-8,11H,9H2,1-2H3,(H,19,21)
InChIKeySDRLPNLOCCAGHQ-UHFFFAOYSA-N
XLogP3.49
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.22
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-bromo-N-[2-(2-fluorophenoxy)propyl]-6-methylpyridine-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

N-[2-(2-fluorophenoxy)propyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 71994313
1-[2-(2-fluorophenoxy)propyl]-3-(3-hydroxypropyl)urea
CID 111508672
(2S)-2-amino-N-[2-(2-fluorophenoxy)propyl]-4-methylpentanamide;hydrochloride
CID 119804898
1-[2-(2-fluorophenoxy)propyl]-3-[(3-methyl-2-pyridinyl)methyl]urea
CID 71868329
1-[2-(2-fluorophenoxy)propyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111508685
1-[2-(2-fluorophenoxy)propyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111619056
N-[2-[[N-[2-(2-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]ethyl]-4-methoxybenzamide;hydroiodide
CID 111683761
2-bromo-N-methoxy-6-methylpyridine-3-carboxamide
CID 131155875
N-[2-(2-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120636265
2-(2,5-dimethylpyrrolidin-1-yl)-N-[2-(2-fluorophenoxy)propyl]propanamide
CID 75423099
1-[2-(2-fluorophenoxy)propyl]-3-(3-hydroxy-3-phenylpropyl)urea
CID 111482952
N-(2-bromopropyl)-2,6-dimethylpyridine-3-carboxamide
CID 114308850

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(2-fluorophenoxy)propyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-[2-(2-fluorophenoxy)propyl]-6-methylpyridine-3-carboxamide (CID 71909521) is 2-bromo-N-[2-(2-fluorophenoxy)propyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[2-(2-fluorophenoxy)propyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-[2-(2-fluorophenoxy)propyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NCC(C)Oc2ccccc2F)c(Br)n1.
What is the InChIKey of 2-bromo-N-[2-(2-fluorophenoxy)propyl]-6-methylpyridine-3-carboxamide?
The InChIKey is SDRLPNLOCCAGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O2/c1-10-7-8-12(15(17)20-10)16(21)19-9-11(2)22-14-6-4-3-5-13(14)18/h3-8,11H,9H2,1-2H3,(H,19,21).
What are the key properties of 2-bromo-N-[2-(2-fluorophenoxy)propyl]-6-methylpyridine-3-carboxamide?
2-bromo-N-[2-(2-fluorophenoxy)propyl]-6-methylpyridine-3-carboxamide has a molecular weight of 367.22 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(2-fluorophenoxy)propyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 71909521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).