2-bromo-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide

C13H18BrN3O — CID 103753970

IUPAC2-bromo-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
SMILESO=C(NCCCN1CCCC1)c1cccnc1Br
InChIInChI=1S/C13H18BrN3O/c14-12-11(5-3-6-15-12)13(18)16-7-4-10-17-8-1-2-9-17/h3,5-6H,1-2,4,7-10H2,(H,16,18)
InChIKeyFPYODBWKEMURSS-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.06
Rot. Bonds5

About 2-bromo-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide

2-bromo-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide (PubChem CID 103753970) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is 2-bromo-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
PubChem CID103753970
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name2-bromo-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
SMILESO=C(NCCCN1CCCC1)c1cccnc1Br
InChIInChI=1S/C13H18BrN3O/c14-12-11(5-3-6-15-12)13(18)16-7-4-10-17-8-1-2-9-17/h3,5-6H,1-2,4,7-10H2,(H,16,18)
InChIKeyFPYODBWKEMURSS-UHFFFAOYSA-N
XLogP2.06
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 60668245
2-bromo-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 103819583
2-bromo-N-pent-4-ynylpyridine-3-carboxamide
CID 103755606
2-(methylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 55211981
2-hydroxy-3-methyl-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 60712545
2-amino-N-(5-piperidin-1-ylpentyl)benzamide
CID 119947207
2-bromo-N-(5-methoxypentyl)pyridine-3-carboxamide
CID 103755024
2-bromo-N-(3-hydroxybutyl)pyridine-3-carboxamide
CID 103755462
2-bromo-4-fluoro-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 60668704
5-bromo-2-iodo-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 113219048
4-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 81226066
2-bromo-N-(5-hydroxy-4-methylpentyl)pyridine-3-carboxamide
CID 103862151

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide (CID 103753970) is 2-bromo-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide is O=C(NCCCN1CCCC1)c1cccnc1Br.
What is the InChIKey of 2-bromo-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide?
The InChIKey is FPYODBWKEMURSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c14-12-11(5-3-6-15-12)13(18)16-7-4-10-17-8-1-2-9-17/h3,5-6H,1-2,4,7-10H2,(H,16,18).
What are the key properties of 2-bromo-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide?
2-bromo-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide has a molecular weight of 312.21 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 103753970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).