5-bromo-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridine-3-carboxamide

C17H18BrN5O2 — CID 53161530

IUPAC5-bromo-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCC(=O)N1CCN(c2ccccn2)CC1)c1cncc(Br)c1
InChIInChI=1S/C17H18BrN5O2/c18-14-9-13(10-19-11-14)17(25)21-12-16(24)23-7-5-22(6-8-23)15-3-1-2-4-20-15/h1-4,9-11H,5-8,12H2,(H,21,25)
InChIKeyCXAYBMUGICBBEM-UHFFFAOYSA-N
MW404.27 g/mol
LogP1.32
Rot. Bonds4

About 5-bromo-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridine-3-carboxamide

5-bromo-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridine-3-carboxamide (PubChem CID 53161530) has the molecular formula C17H18BrN5O2 and a molecular weight of 404.27 g/mol. Its IUPAC name is 5-bromo-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
PubChem CID53161530
Molecular FormulaC17H18BrN5O2
Molecular Weight404.27 g/mol
Exact Mass403.06
IUPAC Name5-bromo-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCC(=O)N1CCN(c2ccccn2)CC1)c1cncc(Br)c1
InChIInChI=1S/C17H18BrN5O2/c18-14-9-13(10-19-11-14)17(25)21-12-16(24)23-7-5-22(6-8-23)15-3-1-2-4-20-15/h1-4,9-11H,5-8,12H2,(H,21,25)
InChIKeyCXAYBMUGICBBEM-UHFFFAOYSA-N
XLogP1.32
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.27
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridine-3-carboxamide (CID 53161530) is 5-bromo-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridine-3-carboxamide is O=C(NCC(=O)N1CCN(c2ccccn2)CC1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is CXAYBMUGICBBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN5O2/c18-14-9-13(10-19-11-14)17(25)21-12-16(24)23-7-5-22(6-8-23)15-3-1-2-4-20-15/h1-4,9-11H,5-8,12H2,(H,21,25).
What are the key properties of 5-bromo-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridine-3-carboxamide?
5-bromo-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 404.27 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 53161530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).