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5-bromo-N-(2-ethylhexyl)-2-(methylamino)pyridine-3-carboxamide

C15H24BrN3O — CID 107818051

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-bromo-N-(2-ethylhexyl)-2-(methylamino)pyridine-3-carboxamide
SMILESCCCCC(CC)CNC(=O)c1cc(Br)cnc1NC
InChIInChI=1S/C15H24BrN3O/c1-4-6-7-11(5-2)9-19-15(20)13-8-12(16)10-18-14(13)17-3/h8,10-11H,4-7,9H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyRNLRVIIMUJYATJ-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.83
Rot. Bonds8

About 5-bromo-N-(2-ethylhexyl)-2-(methylamino)pyridine-3-carboxamide

5-bromo-N-(2-ethylhexyl)-2-(methylamino)pyridine-3-carboxamide (PubChem CID 107818051) has the molecular formula C15H24BrN3O and a molecular weight of 342.28 g/mol. Its IUPAC name is 5-bromo-N-(2-ethylhexyl)-2-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-ethylhexyl)-2-(methylamino)pyridine-3-carboxamide
PubChem CID107818051
Molecular FormulaC15H24BrN3O
Molecular Weight342.28 g/mol
Exact Mass341.11
IUPAC Name5-bromo-N-(2-ethylhexyl)-2-(methylamino)pyridine-3-carboxamide
SMILESCCCCC(CC)CNC(=O)c1cc(Br)cnc1NC
InChIInChI=1S/C15H24BrN3O/c1-4-6-7-11(5-2)9-19-15(20)13-8-12(16)10-18-14(13)17-3/h8,10-11H,4-7,9H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyRNLRVIIMUJYATJ-UHFFFAOYSA-N
XLogP3.83
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-ethylhexyl)-2-(methylamino)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(2-ethylhexyl)-2-(methylamino)pyridine-3-carboxamide (CID 107818051) is 5-bromo-N-(2-ethylhexyl)-2-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-ethylhexyl)-2-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2-ethylhexyl)-2-(methylamino)pyridine-3-carboxamide is CCCCC(CC)CNC(=O)c1cc(Br)cnc1NC.
What is the InChIKey of 5-bromo-N-(2-ethylhexyl)-2-(methylamino)pyridine-3-carboxamide?
The InChIKey is RNLRVIIMUJYATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O/c1-4-6-7-11(5-2)9-19-15(20)13-8-12(16)10-18-14(13)17-3/h8,10-11H,4-7,9H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 5-bromo-N-(2-ethylhexyl)-2-(methylamino)pyridine-3-carboxamide?
5-bromo-N-(2-ethylhexyl)-2-(methylamino)pyridine-3-carboxamide has a molecular weight of 342.28 g/mol, XLogP of 3.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-ethylhexyl)-2-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 107818051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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