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

C13H20BrN3O2 — CID 55047105

IUPAC5-bromo-N-(2-butoxyethyl)-2-(methylamino)pyridine-3-carboxamide
SMILESCCCCOCCNC(=O)c1cc(Br)cnc1NC
InChIInChI=1S/C13H20BrN3O2/c1-3-4-6-19-7-5-16-13(18)11-8-10(14)9-17-12(11)15-2/h8-9H,3-7H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyOIXILDRGGCDFAI-UHFFFAOYSA-N
MW330.23 g/mol
LogP2.43
Rot. Bonds8

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

5-bromo-N-(2-butoxyethyl)-2-(methylamino)pyridine-3-carboxamide (PubChem CID 55047105) has the molecular formula C13H20BrN3O2 and a molecular weight of 330.23 g/mol. Its IUPAC name is 5-bromo-N-(2-butoxyethyl)-2-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-butoxyethyl)-2-(methylamino)pyridine-3-carboxamide
PubChem CID55047105
Molecular FormulaC13H20BrN3O2
Molecular Weight330.23 g/mol
Exact Mass329.07
IUPAC Name5-bromo-N-(2-butoxyethyl)-2-(methylamino)pyridine-3-carboxamide
SMILESCCCCOCCNC(=O)c1cc(Br)cnc1NC
InChIInChI=1S/C13H20BrN3O2/c1-3-4-6-19-7-5-16-13(18)11-8-10(14)9-17-12(11)15-2/h8-9H,3-7H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyOIXILDRGGCDFAI-UHFFFAOYSA-N
XLogP2.43
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 52.43
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

5-bromo-N-(2-butoxyethyl)-2-hydrazinylpyridine-3-carboxamide
CID 62242770
5-bromo-N-(2-ethoxyethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62185046
5-bromo-N-(2-butoxyethyl)-2-chloropyridine-3-carboxamide
CID 62000850
5-bromo-2-(methylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide
CID 55047276
5-bromo-N-(2-ethylhexyl)-2-(methylamino)pyridine-3-carboxamide
CID 107818051
2-amino-5-bromo-N-(2-butoxyethyl)pyridine-4-carboxamide
CID 114193926
5-bromo-N-(3-methoxy-2-methylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 55047194
5-bromo-2-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide
CID 63832210
5-bromo-2-chloro-N-[2-(2-methoxyethoxy)ethyl]pyridine-3-carboxamide
CID 62001049
5-bromo-N-methyl-2-(methylamino)-N-pentylpyridine-3-carboxamide
CID 62168980
5-bromo-N-(4-methylpentyl)-2-(propylamino)pyridine-3-carboxamide
CID 63499563
5-bromo-2-hydrazinyl-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 62242203

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-butoxyethyl)-2-(methylamino)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(2-butoxyethyl)-2-(methylamino)pyridine-3-carboxamide (CID 55047105) is 5-bromo-N-(2-butoxyethyl)-2-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-butoxyethyl)-2-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2-butoxyethyl)-2-(methylamino)pyridine-3-carboxamide is CCCCOCCNC(=O)c1cc(Br)cnc1NC.
What is the InChIKey of 5-bromo-N-(2-butoxyethyl)-2-(methylamino)pyridine-3-carboxamide?
The InChIKey is OIXILDRGGCDFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O2/c1-3-4-6-19-7-5-16-13(18)11-8-10(14)9-17-12(11)15-2/h8-9H,3-7H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 5-bromo-N-(2-butoxyethyl)-2-(methylamino)pyridine-3-carboxamide?
5-bromo-N-(2-butoxyethyl)-2-(methylamino)pyridine-3-carboxamide has a molecular weight of 330.23 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-butoxyethyl)-2-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 55047105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).