3-bromo-N-[1-(2-methylphenyl)ethyl]pyridine-2-carboxamide

C15H15BrN2O — CID 107518059

IUPAC3-bromo-N-[1-(2-methylphenyl)ethyl]pyridine-2-carboxamide
SMILESCc1ccccc1C(C)NC(=O)c1ncccc1Br
InChIInChI=1S/C15H15BrN2O/c1-10-6-3-4-7-12(10)11(2)18-15(19)14-13(16)8-5-9-17-14/h3-9,11H,1-2H3,(H,18,19)
InChIKeyUQEMMQXDTPUEBX-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.64
Rot. Bonds3

About 3-bromo-N-[1-(2-methylphenyl)ethyl]pyridine-2-carboxamide

3-bromo-N-[1-(2-methylphenyl)ethyl]pyridine-2-carboxamide (PubChem CID 107518059) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 3-bromo-N-[1-(2-methylphenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[1-(2-methylphenyl)ethyl]pyridine-2-carboxamide
PubChem CID107518059
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name3-bromo-N-[1-(2-methylphenyl)ethyl]pyridine-2-carboxamide
SMILESCc1ccccc1C(C)NC(=O)c1ncccc1Br
InChIInChI=1S/C15H15BrN2O/c1-10-6-3-4-7-12(10)11(2)18-15(19)14-13(16)8-5-9-17-14/h3-9,11H,1-2H3,(H,18,19)
InChIKeyUQEMMQXDTPUEBX-UHFFFAOYSA-N
XLogP3.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-N-[1-(2-methylphenyl)ethyl]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

3-bromo-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
CID 107519692
3-bromo-N-[(2R)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
CID 107519719
3-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 107519383
3-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide
CID 91773190
3-bromo-N-(1-cyclopropylethyl)pyridine-2-carboxamide
CID 107517908
3-bromo-N-(1-bromo-3-methylbutan-2-yl)pyridine-2-carboxamide
CID 107526264
3-bromo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-2-carboxamide
CID 107518266
3-bromo-N-[1-(dimethylamino)propan-2-yl]pyridine-2-carboxamide
CID 107519243
3-bromo-N-(1-chloro-3-methylbutan-2-yl)pyridine-2-carboxamide
CID 107526234
3-bromo-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 47219502
3-bromo-N-(5-bromopentan-2-yl)pyridine-2-carboxamide
CID 107526265
1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 33431867

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(2-methylphenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-[1-(2-methylphenyl)ethyl]pyridine-2-carboxamide (CID 107518059) is 3-bromo-N-[1-(2-methylphenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[1-(2-methylphenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-[1-(2-methylphenyl)ethyl]pyridine-2-carboxamide is Cc1ccccc1C(C)NC(=O)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-[1-(2-methylphenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is UQEMMQXDTPUEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-10-6-3-4-7-12(10)11(2)18-15(19)14-13(16)8-5-9-17-14/h3-9,11H,1-2H3,(H,18,19).
What are the key properties of 3-bromo-N-[1-(2-methylphenyl)ethyl]pyridine-2-carboxamide?
3-bromo-N-[1-(2-methylphenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 319.20 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(2-methylphenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 107518059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).