5-bromo-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide

C17H18BrN3O — CID 1184632

IUPAC5-bromo-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1cncc(Br)c1
InChIInChI=1S/C17H18BrN3O/c18-14-10-13(11-19-12-14)17(22)20-15-4-6-16(7-5-15)21-8-2-1-3-9-21/h4-7,10-12H,1-3,8-9H2,(H,20,22)
InChIKeyCDLXJHORIARGIH-UHFFFAOYSA-N
MW360.26 g/mol
LogP4.09
Rot. Bonds3

About 5-bromo-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide

5-bromo-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide (PubChem CID 1184632) has the molecular formula C17H18BrN3O and a molecular weight of 360.26 g/mol. Its IUPAC name is 5-bromo-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
PubChem CID1184632
Molecular FormulaC17H18BrN3O
Molecular Weight360.26 g/mol
Exact Mass359.06
IUPAC Name5-bromo-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1cncc(Br)c1
InChIInChI=1S/C17H18BrN3O/c18-14-10-13(11-19-12-14)17(22)20-15-4-6-16(7-5-15)21-8-2-1-3-9-21/h4-7,10-12H,1-3,8-9H2,(H,20,22)
InChIKeyCDLXJHORIARGIH-UHFFFAOYSA-N
XLogP4.09
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.26
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide (CID 1184632) is 5-bromo-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide is O=C(Nc1ccc(N2CCCCC2)cc1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide?
The InChIKey is CDLXJHORIARGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O/c18-14-10-13(11-19-12-14)17(22)20-15-4-6-16(7-5-15)21-8-2-1-3-9-21/h4-7,10-12H,1-3,8-9H2,(H,20,22).
What are the key properties of 5-bromo-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide?
5-bromo-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide has a molecular weight of 360.26 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 1184632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).