N-[4-bromo-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide

C20H19BrN6O — CID 53312060

IUPACN-[4-bromo-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1N1CCN(c2cnccn2)CC1)c1cccnc1
InChIInChI=1S/C20H19BrN6O/c21-16-3-4-17(25-20(28)15-2-1-5-22-13-15)18(12-16)26-8-10-27(11-9-26)19-14-23-6-7-24-19/h1-7,12-14H,8-11H2,(H,25,28)
InChIKeyUBOXEVAOESOFMP-UHFFFAOYSA-N
MW439.32 g/mol
LogP3.21
Rot. Bonds4

About N-[4-bromo-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide

N-[4-bromo-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide (PubChem CID 53312060) has the molecular formula C20H19BrN6O and a molecular weight of 439.32 g/mol. Its IUPAC name is N-[4-bromo-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-bromo-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
PubChem CID53312060
Molecular FormulaC20H19BrN6O
Molecular Weight439.32 g/mol
Exact Mass438.08
IUPAC NameN-[4-bromo-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1N1CCN(c2cnccn2)CC1)c1cccnc1
InChIInChI=1S/C20H19BrN6O/c21-16-3-4-17(25-20(28)15-2-1-5-22-13-15)18(12-16)26-8-10-27(11-9-26)19-14-23-6-7-24-19/h1-7,12-14H,8-11H2,(H,25,28)
InChIKeyUBOXEVAOESOFMP-UHFFFAOYSA-N
XLogP3.21
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.32
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-bromo-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide (CID 53312060) is N-[4-bromo-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-bromo-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-bromo-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(Br)cc1N1CCN(c2cnccn2)CC1)c1cccnc1.
What is the InChIKey of N-[4-bromo-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is UBOXEVAOESOFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN6O/c21-16-3-4-17(25-20(28)15-2-1-5-22-13-15)18(12-16)26-8-10-27(11-9-26)19-14-23-6-7-24-19/h1-7,12-14H,8-11H2,(H,25,28).
What are the key properties of N-[4-bromo-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide?
N-[4-bromo-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 439.32 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 53312060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).