5-bromo-N-(1-phenylpropyl)pyridine-3-carboxamide

C15H15BrN2O — CID 604231

IUPAC5-bromo-N-(1-phenylpropyl)pyridine-3-carboxamide
SMILESCCC(NC(=O)c1cncc(Br)c1)c1ccccc1
InChIInChI=1S/C15H15BrN2O/c1-2-14(11-6-4-3-5-7-11)18-15(19)12-8-13(16)10-17-9-12/h3-10,14H,2H2,1H3,(H,18,19)
InChIKeyGSONOHQUYCWEFY-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.73
Rot. Bonds4

About 5-bromo-N-(1-phenylpropyl)pyridine-3-carboxamide

5-bromo-N-(1-phenylpropyl)pyridine-3-carboxamide (PubChem CID 604231) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 5-bromo-N-(1-phenylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-phenylpropyl)pyridine-3-carboxamide
PubChem CID604231
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name5-bromo-N-(1-phenylpropyl)pyridine-3-carboxamide
SMILESCCC(NC(=O)c1cncc(Br)c1)c1ccccc1
InChIInChI=1S/C15H15BrN2O/c1-2-14(11-6-4-3-5-7-11)18-15(19)12-8-13(16)10-17-9-12/h3-10,14H,2H2,1H3,(H,18,19)
InChIKeyGSONOHQUYCWEFY-UHFFFAOYSA-N
XLogP3.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-phenylpropyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(1-phenylpropyl)pyridine-3-carboxamide (CID 604231) is 5-bromo-N-(1-phenylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-phenylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(1-phenylpropyl)pyridine-3-carboxamide is CCC(NC(=O)c1cncc(Br)c1)c1ccccc1.
What is the InChIKey of 5-bromo-N-(1-phenylpropyl)pyridine-3-carboxamide?
The InChIKey is GSONOHQUYCWEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-2-14(11-6-4-3-5-7-11)18-15(19)12-8-13(16)10-17-9-12/h3-10,14H,2H2,1H3,(H,18,19).
What are the key properties of 5-bromo-N-(1-phenylpropyl)pyridine-3-carboxamide?
5-bromo-N-(1-phenylpropyl)pyridine-3-carboxamide has a molecular weight of 319.20 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-phenylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 604231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).