4-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]propanoylamino]benzamide

C19H22BrN5O2 — CID 55682733

IUPAC4-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]propanoylamino]benzamide
SMILESCC(C(=O)Nc1ccc(C(N)=O)cc1)N1CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C19H22BrN5O2/c1-13(19(27)23-16-5-2-14(3-6-16)18(21)26)24-8-10-25(11-9-24)17-7-4-15(20)12-22-17/h2-7,12-13H,8-11H2,1H3,(H2,21,26)(H,23,27)
InChIKeyNOFBARICGVSYAS-UHFFFAOYSA-N
MW432.32 g/mol
LogP2.09
Rot. Bonds5

About 4-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]propanoylamino]benzamide

4-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]propanoylamino]benzamide (PubChem CID 55682733) has the molecular formula C19H22BrN5O2 and a molecular weight of 432.32 g/mol. Its IUPAC name is 4-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]propanoylamino]benzamide.

Molecular Properties

Compound Name4-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]propanoylamino]benzamide
PubChem CID55682733
Molecular FormulaC19H22BrN5O2
Molecular Weight432.32 g/mol
Exact Mass431.10
IUPAC Name4-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]propanoylamino]benzamide
SMILESCC(C(=O)Nc1ccc(C(N)=O)cc1)N1CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C19H22BrN5O2/c1-13(19(27)23-16-5-2-14(3-6-16)18(21)26)24-8-10-25(11-9-24)17-7-4-15(20)12-22-17/h2-7,12-13H,8-11H2,1H3,(H2,21,26)(H,23,27)
InChIKeyNOFBARICGVSYAS-UHFFFAOYSA-N
XLogP2.09
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]propanoylamino]benzamide?
The IUPAC name of 4-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]propanoylamino]benzamide (CID 55682733) is 4-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]propanoylamino]benzamide.
What is the SMILES notation for 4-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]propanoylamino]benzamide?
The canonical SMILES for 4-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]propanoylamino]benzamide is CC(C(=O)Nc1ccc(C(N)=O)cc1)N1CCN(c2ccc(Br)cn2)CC1.
What is the InChIKey of 4-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]propanoylamino]benzamide?
The InChIKey is NOFBARICGVSYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN5O2/c1-13(19(27)23-16-5-2-14(3-6-16)18(21)26)24-8-10-25(11-9-24)17-7-4-15(20)12-22-17/h2-7,12-13H,8-11H2,1H3,(H2,21,26)(H,23,27).
What are the key properties of 4-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]propanoylamino]benzamide?
4-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]propanoylamino]benzamide has a molecular weight of 432.32 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]propanoylamino]benzamide is sourced from PubChem (CID 55682733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).