2-N-(2-bromophenyl)-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide

C16H16BrN3O3 — CID 109082277

IUPAC2-N-(2-bromophenyl)-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
SMILESCOCCNC(=O)c1ccnc(C(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C16H16BrN3O3/c1-23-9-8-19-15(21)11-6-7-18-14(10-11)16(22)20-13-5-3-2-4-12(13)17/h2-7,10H,8-9H2,1H3,(H,19,21)(H,20,22)
InChIKeyRSTXPUPJBYODJL-UHFFFAOYSA-N
MW378.23 g/mol
LogP2.47
Rot. Bonds6

About 2-N-(2-bromophenyl)-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide

2-N-(2-bromophenyl)-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide (PubChem CID 109082277) has the molecular formula C16H16BrN3O3 and a molecular weight of 378.23 g/mol. Its IUPAC name is 2-N-(2-bromophenyl)-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(2-bromophenyl)-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
PubChem CID109082277
Molecular FormulaC16H16BrN3O3
Molecular Weight378.23 g/mol
Exact Mass377.04
IUPAC Name2-N-(2-bromophenyl)-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
SMILESCOCCNC(=O)c1ccnc(C(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C16H16BrN3O3/c1-23-9-8-19-15(21)11-6-7-18-14(10-11)16(22)20-13-5-3-2-4-12(13)17/h2-7,10H,8-9H2,1H3,(H,19,21)(H,20,22)
InChIKeyRSTXPUPJBYODJL-UHFFFAOYSA-N
XLogP2.47
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.23
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-(2-bromophenyl)-4-N-propylpyridine-2,4-dicarboxamide
CID 109077777
3-N-(2-bromophenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052632
4-N-(2-tert-butylphenyl)-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082404
2-N-(2-methoxyphenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082586
2-N-(2-cyanophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082631
4-N-benzyl-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082319
2-N-(2,3-dichlorophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082627
2-N-(3-bromophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082614
4-N-(2,5-dimethylphenyl)-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082390
2-N-butyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109079379
2-N-cyclopropyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109078607
2-N-(2-methoxyethyl)-4-N-pentylpyridine-2,4-dicarboxamide
CID 109082372

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bromophenyl)-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(2-bromophenyl)-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide (CID 109082277) is 2-N-(2-bromophenyl)-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(2-bromophenyl)-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(2-bromophenyl)-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide is COCCNC(=O)c1ccnc(C(=O)Nc2ccccc2Br)c1.
What is the InChIKey of 2-N-(2-bromophenyl)-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide?
The InChIKey is RSTXPUPJBYODJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O3/c1-23-9-8-19-15(21)11-6-7-18-14(10-11)16(22)20-13-5-3-2-4-12(13)17/h2-7,10H,8-9H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-N-(2-bromophenyl)-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide?
2-N-(2-bromophenyl)-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide has a molecular weight of 378.23 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bromophenyl)-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109082277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).