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

C11H16BrN3O2 — CID 62185046

IUPAC5-bromo-N-(2-ethoxyethyl)-2-(methylamino)pyridine-3-carboxamide
SMILESCCOCCNC(=O)c1cc(Br)cnc1NC
InChIInChI=1S/C11H16BrN3O2/c1-3-17-5-4-14-11(16)9-6-8(12)7-15-10(9)13-2/h6-7H,3-5H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyCAALYRZNJHIEEC-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.65
Rot. Bonds6

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

5-bromo-N-(2-ethoxyethyl)-2-(methylamino)pyridine-3-carboxamide (PubChem CID 62185046) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is 5-bromo-N-(2-ethoxyethyl)-2-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-ethoxyethyl)-2-(methylamino)pyridine-3-carboxamide
PubChem CID62185046
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name5-bromo-N-(2-ethoxyethyl)-2-(methylamino)pyridine-3-carboxamide
SMILESCCOCCNC(=O)c1cc(Br)cnc1NC
InChIInChI=1S/C11H16BrN3O2/c1-3-17-5-4-14-11(16)9-6-8(12)7-15-10(9)13-2/h6-7H,3-5H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyCAALYRZNJHIEEC-UHFFFAOYSA-N
XLogP1.65
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.65
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-(methylamino)pyridine-3-carboxamide
CID 55047105
5-bromo-N-(2-butoxyethyl)-2-hydrazinylpyridine-3-carboxamide
CID 62242770
5-bromo-2-(methylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide
CID 55047276
5-bromo-N-(3-methoxy-2-methylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 55047194
5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-2-(methylamino)pyridine-3-carboxamide
CID 65236814
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-(2-butoxyethyl)-2-chloropyridine-3-carboxamide
CID 62000850
5-bromo-N-(2-imidazol-1-ylethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62176435
5-bromo-2-(methylamino)-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide
CID 113466911
5-bromo-2-hydrazinyl-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 62242203
5-bromo-2-(methylamino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 62166425

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-ethoxyethyl)-2-(methylamino)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(2-ethoxyethyl)-2-(methylamino)pyridine-3-carboxamide (CID 62185046) is 5-bromo-N-(2-ethoxyethyl)-2-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-ethoxyethyl)-2-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2-ethoxyethyl)-2-(methylamino)pyridine-3-carboxamide is CCOCCNC(=O)c1cc(Br)cnc1NC.
What is the InChIKey of 5-bromo-N-(2-ethoxyethyl)-2-(methylamino)pyridine-3-carboxamide?
The InChIKey is CAALYRZNJHIEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c1-3-17-5-4-14-11(16)9-6-8(12)7-15-10(9)13-2/h6-7H,3-5H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of 5-bromo-N-(2-ethoxyethyl)-2-(methylamino)pyridine-3-carboxamide?
5-bromo-N-(2-ethoxyethyl)-2-(methylamino)pyridine-3-carboxamide has a molecular weight of 302.17 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-ethoxyethyl)-2-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62185046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).