2-amino-5-bromo-N-(5-methylhexyl)pyridine-3-carboxamide

C13H20BrN3O — CID 113287868

IUPAC2-amino-5-bromo-N-(5-methylhexyl)pyridine-3-carboxamide
SMILESCC(C)CCCCNC(=O)c1cc(Br)cnc1N
InChIInChI=1S/C13H20BrN3O/c1-9(2)5-3-4-6-16-13(18)11-7-10(14)8-17-12(11)15/h7-9H,3-6H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyCWSLVUUHJNWPLJ-UHFFFAOYSA-N
MW314.23 g/mol
LogP2.98
Rot. Bonds6

About 2-amino-5-bromo-N-(5-methylhexyl)pyridine-3-carboxamide

2-amino-5-bromo-N-(5-methylhexyl)pyridine-3-carboxamide (PubChem CID 113287868) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(5-methylhexyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(5-methylhexyl)pyridine-3-carboxamide
PubChem CID113287868
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name2-amino-5-bromo-N-(5-methylhexyl)pyridine-3-carboxamide
SMILESCC(C)CCCCNC(=O)c1cc(Br)cnc1N
InChIInChI=1S/C13H20BrN3O/c1-9(2)5-3-4-6-16-13(18)11-7-10(14)8-17-12(11)15/h7-9H,3-6H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyCWSLVUUHJNWPLJ-UHFFFAOYSA-N
XLogP2.98
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide
CID 62152701
N-(2-acetamidoethyl)-2-amino-5-bromopyridine-3-carboxamide
CID 62154291
2-amino-5-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102907966
2-amino-5-bromo-N-(3-phenylbutyl)pyridine-3-carboxamide
CID 62986651
5-bromo-N-(4-methylpentyl)-2-(propylamino)pyridine-3-carboxamide
CID 63499563
2,5-dibromo-N-(7-methyloctyl)benzamide
CID 114371952
5-amino-2-methyl-N-(5-methylhexyl)pyridine-3-carboxamide
CID 115324400
5-bromo-2-hydrazinyl-N-(3-methylbutyl)pyridine-3-carboxamide
CID 62237644
2-amino-5-bromo-N-pentan-2-ylpyridine-3-carboxamide
CID 62152326
4-amino-6-methyl-N-(7-methyloctyl)pyridine-3-carboxamide
CID 107817984
2-amino-5-bromo-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide
CID 79395352
5-bromo-2-fluoro-N-(7-methyloctyl)benzamide
CID 63525308

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(5-methylhexyl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-(5-methylhexyl)pyridine-3-carboxamide (CID 113287868) is 2-amino-5-bromo-N-(5-methylhexyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-(5-methylhexyl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-(5-methylhexyl)pyridine-3-carboxamide is CC(C)CCCCNC(=O)c1cc(Br)cnc1N.
What is the InChIKey of 2-amino-5-bromo-N-(5-methylhexyl)pyridine-3-carboxamide?
The InChIKey is CWSLVUUHJNWPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-9(2)5-3-4-6-16-13(18)11-7-10(14)8-17-12(11)15/h7-9H,3-6H2,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of 2-amino-5-bromo-N-(5-methylhexyl)pyridine-3-carboxamide?
2-amino-5-bromo-N-(5-methylhexyl)pyridine-3-carboxamide has a molecular weight of 314.23 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(5-methylhexyl)pyridine-3-carboxamide is sourced from PubChem (CID 113287868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).