2-[4-(5-bromopyridine-2-carbonyl)piperazin-1-yl]-2-methylpropanenitrile

C14H17BrN4O — CID 63337357

IUPAC2-[4-(5-bromopyridine-2-carbonyl)piperazin-1-yl]-2-methylpropanenitrile
SMILESCC(C)(C#N)N1CCN(C(=O)c2ccc(Br)cn2)CC1
InChIInChI=1S/C14H17BrN4O/c1-14(2,10-16)19-7-5-18(6-8-19)13(20)12-4-3-11(15)9-17-12/h3-4,9H,5-8H2,1-2H3
InChIKeyNSXBJIQKNLVVMX-UHFFFAOYSA-N
MW337.22 g/mol
LogP1.90
Rot. Bonds2

About 2-[4-(5-bromopyridine-2-carbonyl)piperazin-1-yl]-2-methylpropanenitrile

2-[4-(5-bromopyridine-2-carbonyl)piperazin-1-yl]-2-methylpropanenitrile (PubChem CID 63337357) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is 2-[4-(5-bromopyridine-2-carbonyl)piperazin-1-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[4-(5-bromopyridine-2-carbonyl)piperazin-1-yl]-2-methylpropanenitrile
PubChem CID63337357
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name2-[4-(5-bromopyridine-2-carbonyl)piperazin-1-yl]-2-methylpropanenitrile
SMILESCC(C)(C#N)N1CCN(C(=O)c2ccc(Br)cn2)CC1
InChIInChI=1S/C14H17BrN4O/c1-14(2,10-16)19-7-5-18(6-8-19)13(20)12-4-3-11(15)9-17-12/h3-4,9H,5-8H2,1-2H3
InChIKeyNSXBJIQKNLVVMX-UHFFFAOYSA-N
XLogP1.90
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromopyridine-2-carbonyl)piperazin-1-yl]-2-methylpropanenitrile?
The IUPAC name of 2-[4-(5-bromopyridine-2-carbonyl)piperazin-1-yl]-2-methylpropanenitrile (CID 63337357) is 2-[4-(5-bromopyridine-2-carbonyl)piperazin-1-yl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[4-(5-bromopyridine-2-carbonyl)piperazin-1-yl]-2-methylpropanenitrile?
The canonical SMILES for 2-[4-(5-bromopyridine-2-carbonyl)piperazin-1-yl]-2-methylpropanenitrile is CC(C)(C#N)N1CCN(C(=O)c2ccc(Br)cn2)CC1.
What is the InChIKey of 2-[4-(5-bromopyridine-2-carbonyl)piperazin-1-yl]-2-methylpropanenitrile?
The InChIKey is NSXBJIQKNLVVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-14(2,10-16)19-7-5-18(6-8-19)13(20)12-4-3-11(15)9-17-12/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 2-[4-(5-bromopyridine-2-carbonyl)piperazin-1-yl]-2-methylpropanenitrile?
2-[4-(5-bromopyridine-2-carbonyl)piperazin-1-yl]-2-methylpropanenitrile has a molecular weight of 337.22 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromopyridine-2-carbonyl)piperazin-1-yl]-2-methylpropanenitrile is sourced from PubChem (CID 63337357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).