N-(4-bromophenyl)-2-piperidin-1-ylpyridine-3-carboxamide

C17H18BrN3O — CID 2964239

IUPACN-(4-bromophenyl)-2-piperidin-1-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cccnc1N1CCCCC1
InChIInChI=1S/C17H18BrN3O/c18-13-6-8-14(9-7-13)20-17(22)15-5-4-10-19-16(15)21-11-2-1-3-12-21/h4-10H,1-3,11-12H2,(H,20,22)
InChIKeyQXGYXWQKXSSINE-UHFFFAOYSA-N
MW360.26 g/mol
LogP4.09
Rot. Bonds3

About N-(4-bromophenyl)-2-piperidin-1-ylpyridine-3-carboxamide

N-(4-bromophenyl)-2-piperidin-1-ylpyridine-3-carboxamide (PubChem CID 2964239) has the molecular formula C17H18BrN3O and a molecular weight of 360.26 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-piperidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-piperidin-1-ylpyridine-3-carboxamide
PubChem CID2964239
Molecular FormulaC17H18BrN3O
Molecular Weight360.26 g/mol
Exact Mass359.06
IUPAC NameN-(4-bromophenyl)-2-piperidin-1-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cccnc1N1CCCCC1
InChIInChI=1S/C17H18BrN3O/c18-13-6-8-14(9-7-13)20-17(22)15-5-4-10-19-16(15)21-11-2-1-3-12-21/h4-10H,1-3,11-12H2,(H,20,22)
InChIKeyQXGYXWQKXSSINE-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

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-piperidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2-piperidin-1-ylpyridine-3-carboxamide (CID 2964239) is N-(4-bromophenyl)-2-piperidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2-piperidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2-piperidin-1-ylpyridine-3-carboxamide is O=C(Nc1ccc(Br)cc1)c1cccnc1N1CCCCC1.
What is the InChIKey of N-(4-bromophenyl)-2-piperidin-1-ylpyridine-3-carboxamide?
The InChIKey is QXGYXWQKXSSINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O/c18-13-6-8-14(9-7-13)20-17(22)15-5-4-10-19-16(15)21-11-2-1-3-12-21/h4-10H,1-3,11-12H2,(H,20,22).
What are the key properties of N-(4-bromophenyl)-2-piperidin-1-ylpyridine-3-carboxamide?
N-(4-bromophenyl)-2-piperidin-1-ylpyridine-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 N-(4-bromophenyl)-2-piperidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 2964239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).