N-(1-benzylpiperidin-4-yl)-5-bromopyridine-3-carboxamide

C18H20BrN3O — CID 2594859

IUPACN-(1-benzylpiperidin-4-yl)-5-bromopyridine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cncc(Br)c1
InChIInChI=1S/C18H20BrN3O/c19-16-10-15(11-20-12-16)18(23)21-17-6-8-22(9-7-17)13-14-4-2-1-3-5-14/h1-5,10-12,17H,6-9,13H2,(H,21,23)
InChIKeyAZLBVVFYAYWUKW-UHFFFAOYSA-N
MW374.28 g/mol
LogP3.24
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-5-bromopyridine-3-carboxamide

N-(1-benzylpiperidin-4-yl)-5-bromopyridine-3-carboxamide (PubChem CID 2594859) has the molecular formula C18H20BrN3O and a molecular weight of 374.28 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-5-bromopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-5-bromopyridine-3-carboxamide
PubChem CID2594859
Molecular FormulaC18H20BrN3O
Molecular Weight374.28 g/mol
Exact Mass373.08
IUPAC NameN-(1-benzylpiperidin-4-yl)-5-bromopyridine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cncc(Br)c1
InChIInChI=1S/C18H20BrN3O/c19-16-10-15(11-20-12-16)18(23)21-17-6-8-22(9-7-17)13-14-4-2-1-3-5-14/h1-5,10-12,17H,6-9,13H2,(H,21,23)
InChIKeyAZLBVVFYAYWUKW-UHFFFAOYSA-N
XLogP3.24
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-5-bromopyridine-3-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-5-bromopyridine-3-carboxamide (CID 2594859) is N-(1-benzylpiperidin-4-yl)-5-bromopyridine-3-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-5-bromopyridine-3-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-5-bromopyridine-3-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1cncc(Br)c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-5-bromopyridine-3-carboxamide?
The InChIKey is AZLBVVFYAYWUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O/c19-16-10-15(11-20-12-16)18(23)21-17-6-8-22(9-7-17)13-14-4-2-1-3-5-14/h1-5,10-12,17H,6-9,13H2,(H,21,23).
What are the key properties of N-(1-benzylpiperidin-4-yl)-5-bromopyridine-3-carboxamide?
N-(1-benzylpiperidin-4-yl)-5-bromopyridine-3-carboxamide has a molecular weight of 374.28 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-5-bromopyridine-3-carboxamide is sourced from PubChem (CID 2594859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).