N-(4-bromo-2-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

C18H21BrN4O — CID 5020717

IUPACN-(4-bromo-2-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESCc1cc(Br)ccc1NC(=O)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H21BrN4O/c1-14-12-15(19)5-6-16(14)21-18(24)13-22-8-10-23(11-9-22)17-4-2-3-7-20-17/h2-7,12H,8-11,13H2,1H3,(H,21,24)
InChIKeyALSNWIVWTGYOCE-UHFFFAOYSA-N
MW389.30 g/mol
LogP2.91
Rot. Bonds4

About N-(4-bromo-2-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

N-(4-bromo-2-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (PubChem CID 5020717) has the molecular formula C18H21BrN4O and a molecular weight of 389.30 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
PubChem CID5020717
Molecular FormulaC18H21BrN4O
Molecular Weight389.30 g/mol
Exact Mass388.09
IUPAC NameN-(4-bromo-2-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESCc1cc(Br)ccc1NC(=O)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H21BrN4O/c1-14-12-15(19)5-6-16(14)21-18(24)13-22-8-10-23(11-9-22)17-4-2-3-7-20-17/h2-7,12H,8-11,13H2,1H3,(H,21,24)
InChIKeyALSNWIVWTGYOCE-UHFFFAOYSA-N
XLogP2.91
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (CID 5020717) is N-(4-bromo-2-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is Cc1cc(Br)ccc1NC(=O)CN1CCN(c2ccccn2)CC1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is ALSNWIVWTGYOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN4O/c1-14-12-15(19)5-6-16(14)21-18(24)13-22-8-10-23(11-9-22)17-4-2-3-7-20-17/h2-7,12H,8-11,13H2,1H3,(H,21,24).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
N-(4-bromo-2-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 389.30 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 5020717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).