2-bromo-N-(2-methoxy-4-methylphenyl)pyridine-4-carboxamide

C14H13BrN2O2 — CID 103754736

IUPAC2-bromo-N-(2-methoxy-4-methylphenyl)pyridine-4-carboxamide
SMILESCOc1cc(C)ccc1NC(=O)c1ccnc(Br)c1
InChIInChI=1S/C14H13BrN2O2/c1-9-3-4-11(12(7-9)19-2)17-14(18)10-5-6-16-13(15)8-10/h3-8H,1-2H3,(H,17,18)
InChIKeyGLAZXDXOJILZFS-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.41
Rot. Bonds3

About 2-bromo-N-(2-methoxy-4-methylphenyl)pyridine-4-carboxamide

2-bromo-N-(2-methoxy-4-methylphenyl)pyridine-4-carboxamide (PubChem CID 103754736) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 2-bromo-N-(2-methoxy-4-methylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2-methoxy-4-methylphenyl)pyridine-4-carboxamide
PubChem CID103754736
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name2-bromo-N-(2-methoxy-4-methylphenyl)pyridine-4-carboxamide
SMILESCOc1cc(C)ccc1NC(=O)c1ccnc(Br)c1
InChIInChI=1S/C14H13BrN2O2/c1-9-3-4-11(12(7-9)19-2)17-14(18)10-5-6-16-13(15)8-10/h3-8H,1-2H3,(H,17,18)
InChIKeyGLAZXDXOJILZFS-UHFFFAOYSA-N
XLogP3.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.41
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-methoxy-4-methylphenyl)pyridine-4-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

2-bromo-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide
CID 103754686
2-bromo-N-(5-bromo-2-methoxyphenyl)pyridine-4-carboxamide
CID 103754801
2-bromo-N-(5-chloro-2-methoxyphenyl)pyridine-4-carboxamide
CID 103751745
N-(2,4-dimethoxyphenyl)-2-methoxypyridine-4-carboxamide
CID 84580517
3-bromo-4-chloro-N-(2-methoxy-4-methylphenyl)benzamide
CID 103841734
2-bromo-N-(3-methylphenyl)pyridine-4-carboxamide
CID 86695841
N-(2,4-dimethoxyphenyl)-2-(2,5-dimethylanilino)pyridine-4-carboxamide
CID 109176642
2-tert-butyl-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 4731310
N-(4-bromo-2-methoxyphenyl)pyridine-4-carboxamide
CID 2174953
4-ethoxy-N-(2-ethoxy-4-methylphenyl)-3-methoxybenzamide
CID 87027059
4-bromo-2-methoxy-N-(2-methoxy-4-methylphenyl)benzamide
CID 78987785
3-benzamido-N-(2-methoxy-4-methylphenyl)benzamide
CID 5082074

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methoxy-4-methylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-(2-methoxy-4-methylphenyl)pyridine-4-carboxamide (CID 103754736) is 2-bromo-N-(2-methoxy-4-methylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-(2-methoxy-4-methylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-(2-methoxy-4-methylphenyl)pyridine-4-carboxamide is COc1cc(C)ccc1NC(=O)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-(2-methoxy-4-methylphenyl)pyridine-4-carboxamide?
The InChIKey is GLAZXDXOJILZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-9-3-4-11(12(7-9)19-2)17-14(18)10-5-6-16-13(15)8-10/h3-8H,1-2H3,(H,17,18).
What are the key properties of 2-bromo-N-(2-methoxy-4-methylphenyl)pyridine-4-carboxamide?
2-bromo-N-(2-methoxy-4-methylphenyl)pyridine-4-carboxamide has a molecular weight of 321.17 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methoxy-4-methylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 103754736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).