2-(3-bromoanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide

C15H16BrN3O2 — CID 109166839

IUPAC2-(3-bromoanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide
SMILESCOCCNC(=O)c1ccnc(Nc2cccc(Br)c2)c1
InChIInChI=1S/C15H16BrN3O2/c1-21-8-7-18-15(20)11-5-6-17-14(9-11)19-13-4-2-3-12(16)10-13/h2-6,9-10H,7-8H2,1H3,(H,17,19)(H,18,20)
InChIKeyZRKCWRLEJGZHQE-UHFFFAOYSA-N
MW350.22 g/mol
LogP2.96
Rot. Bonds6

About 2-(3-bromoanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide

2-(3-bromoanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide (PubChem CID 109166839) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is 2-(3-bromoanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3-bromoanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide
PubChem CID109166839
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC Name2-(3-bromoanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide
SMILESCOCCNC(=O)c1ccnc(Nc2cccc(Br)c2)c1
InChIInChI=1S/C15H16BrN3O2/c1-21-8-7-18-15(20)11-5-6-17-14(9-11)19-13-4-2-3-12(16)10-13/h2-6,9-10H,7-8H2,1H3,(H,17,19)(H,18,20)
InChIKeyZRKCWRLEJGZHQE-UHFFFAOYSA-N
XLogP2.96
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(3-bromoanilino)-N-(2-methoxyethyl)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-(3-methoxyanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 109166806
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109166817
N-(3-methoxypropyl)-2-(3-methylanilino)pyridine-4-carboxamide
CID 109167047
2-(3-fluoroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167115
N-(3-bromophenyl)-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109178014
2-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109177974
N-(3-bromophenyl)-2-(3-methylanilino)pyridine-4-carboxamide
CID 109176276
2-N-(3-bromophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082614
ethyl 4-[[4-(2-methoxyethylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109166844
2-(3-bromoanilino)-N-cyclohexylpyridine-4-carboxamide
CID 109166315
2-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167052
2-(2-ethyl-6-methylanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 109166794

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(3-bromoanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide (CID 109166839) is 2-(3-bromoanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(3-bromoanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(3-bromoanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide is COCCNC(=O)c1ccnc(Nc2cccc(Br)c2)c1.
What is the InChIKey of 2-(3-bromoanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide?
The InChIKey is ZRKCWRLEJGZHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c1-21-8-7-18-15(20)11-5-6-17-14(9-11)19-13-4-2-3-12(16)10-13/h2-6,9-10H,7-8H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 2-(3-bromoanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide?
2-(3-bromoanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide has a molecular weight of 350.22 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide is sourced from PubChem (CID 109166839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).