6-bromo-N-[1-(4-methylphenoxy)propan-2-yl]pyridine-3-carboxamide

C16H17BrN2O2 — CID 66464126

IUPAC6-bromo-N-[1-(4-methylphenoxy)propan-2-yl]pyridine-3-carboxamide
SMILESCc1ccc(OCC(C)NC(=O)c2ccc(Br)nc2)cc1
InChIInChI=1S/C16H17BrN2O2/c1-11-3-6-14(7-4-11)21-10-12(2)19-16(20)13-5-8-15(17)18-9-13/h3-9,12H,10H2,1-2H3,(H,19,20)
InChIKeyRSNAKNANLPAACN-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.35
Rot. Bonds5

About 6-bromo-N-[1-(4-methylphenoxy)propan-2-yl]pyridine-3-carboxamide

6-bromo-N-[1-(4-methylphenoxy)propan-2-yl]pyridine-3-carboxamide (PubChem CID 66464126) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 6-bromo-N-[1-(4-methylphenoxy)propan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[1-(4-methylphenoxy)propan-2-yl]pyridine-3-carboxamide
PubChem CID66464126
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name6-bromo-N-[1-(4-methylphenoxy)propan-2-yl]pyridine-3-carboxamide
SMILESCc1ccc(OCC(C)NC(=O)c2ccc(Br)nc2)cc1
InChIInChI=1S/C16H17BrN2O2/c1-11-3-6-14(7-4-11)21-10-12(2)19-16(20)13-5-8-15(17)18-9-13/h3-9,12H,10H2,1-2H3,(H,19,20)
InChIKeyRSNAKNANLPAACN-UHFFFAOYSA-N
XLogP3.35
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-bromo-N-[1-(4-methylphenoxy)propan-2-yl]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

4-methoxy-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]benzamide
CID 95179251
N-[1-(4-methylphenoxy)propan-2-yl]-4-nitrobenzamide
CID 132650572
3-chloro-4-ethoxy-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]benzamide
CID 100713523
2,2-dimethyl-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propanamide
CID 52773928
6-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide
CID 66464130
4-amino-N-[1-(4-methylphenoxy)propan-2-yl]-1H-pyrazole-5-carboxamide
CID 63103249
4-(azepan-1-ylmethyl)-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]benzamide
CID 94013585
N-(1-phenoxypropan-2-yl)pyridine-3-carboxamide
CID 47311353
6-bromo-N-but-3-yn-2-ylpyridine-3-carboxamide
CID 114416382
4-ethoxy-N-[1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 132651364
N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-nitrobenzamide
CID 99994913
N-[1-(4-methylphenoxy)propan-2-yl]-3-nitrobenzamide
CID 132650571

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[1-(4-methylphenoxy)propan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-[1-(4-methylphenoxy)propan-2-yl]pyridine-3-carboxamide (CID 66464126) is 6-bromo-N-[1-(4-methylphenoxy)propan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[1-(4-methylphenoxy)propan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-[1-(4-methylphenoxy)propan-2-yl]pyridine-3-carboxamide is Cc1ccc(OCC(C)NC(=O)c2ccc(Br)nc2)cc1.
What is the InChIKey of 6-bromo-N-[1-(4-methylphenoxy)propan-2-yl]pyridine-3-carboxamide?
The InChIKey is RSNAKNANLPAACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-11-3-6-14(7-4-11)21-10-12(2)19-16(20)13-5-8-15(17)18-9-13/h3-9,12H,10H2,1-2H3,(H,19,20).
What are the key properties of 6-bromo-N-[1-(4-methylphenoxy)propan-2-yl]pyridine-3-carboxamide?
6-bromo-N-[1-(4-methylphenoxy)propan-2-yl]pyridine-3-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[1-(4-methylphenoxy)propan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 66464126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).