5-bromo-N-(5-pyrrolidin-1-ylpentyl)pyridine-3-carboxamide

C15H22BrN3O — CID 52936635

IUPAC5-bromo-N-(5-pyrrolidin-1-ylpentyl)pyridine-3-carboxamide
SMILESO=C(NCCCCCN1CCCC1)c1cncc(Br)c1
InChIInChI=1S/C15H22BrN3O/c16-14-10-13(11-17-12-14)15(20)18-6-2-1-3-7-19-8-4-5-9-19/h10-12H,1-9H2,(H,18,20)
InChIKeyADAKUGHCCHXTFQ-UHFFFAOYSA-N
MW340.26 g/mol
LogP2.84
Rot. Bonds7

About 5-bromo-N-(5-pyrrolidin-1-ylpentyl)pyridine-3-carboxamide

5-bromo-N-(5-pyrrolidin-1-ylpentyl)pyridine-3-carboxamide (PubChem CID 52936635) has the molecular formula C15H22BrN3O and a molecular weight of 340.26 g/mol. Its IUPAC name is 5-bromo-N-(5-pyrrolidin-1-ylpentyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(5-pyrrolidin-1-ylpentyl)pyridine-3-carboxamide
PubChem CID52936635
Molecular FormulaC15H22BrN3O
Molecular Weight340.26 g/mol
Exact Mass339.09
IUPAC Name5-bromo-N-(5-pyrrolidin-1-ylpentyl)pyridine-3-carboxamide
SMILESO=C(NCCCCCN1CCCC1)c1cncc(Br)c1
InChIInChI=1S/C15H22BrN3O/c16-14-10-13(11-17-12-14)15(20)18-6-2-1-3-7-19-8-4-5-9-19/h10-12H,1-9H2,(H,18,20)
InChIKeyADAKUGHCCHXTFQ-UHFFFAOYSA-N
XLogP2.84
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-pyrrolidin-1-ylpentyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(5-pyrrolidin-1-ylpentyl)pyridine-3-carboxamide (CID 52936635) is 5-bromo-N-(5-pyrrolidin-1-ylpentyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(5-pyrrolidin-1-ylpentyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(5-pyrrolidin-1-ylpentyl)pyridine-3-carboxamide is O=C(NCCCCCN1CCCC1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(5-pyrrolidin-1-ylpentyl)pyridine-3-carboxamide?
The InChIKey is ADAKUGHCCHXTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c16-14-10-13(11-17-12-14)15(20)18-6-2-1-3-7-19-8-4-5-9-19/h10-12H,1-9H2,(H,18,20).
What are the key properties of 5-bromo-N-(5-pyrrolidin-1-ylpentyl)pyridine-3-carboxamide?
5-bromo-N-(5-pyrrolidin-1-ylpentyl)pyridine-3-carboxamide has a molecular weight of 340.26 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-pyrrolidin-1-ylpentyl)pyridine-3-carboxamide is sourced from PubChem (CID 52936635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).