N-(2-bromophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

C17H19BrN4O — CID 4207409

IUPACN-(2-bromophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccn2)CC1)Nc1ccccc1Br
InChIInChI=1S/C17H19BrN4O/c18-14-5-1-2-6-15(14)20-17(23)13-21-9-11-22(12-10-21)16-7-3-4-8-19-16/h1-8H,9-13H2,(H,20,23)
InChIKeyKWJOJWBRBSATIB-UHFFFAOYSA-N
MW375.27 g/mol
LogP2.60
Rot. Bonds4

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

N-(2-bromophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (PubChem CID 4207409) has the molecular formula C17H19BrN4O and a molecular weight of 375.27 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
PubChem CID4207409
Molecular FormulaC17H19BrN4O
Molecular Weight375.27 g/mol
Exact Mass374.07
IUPAC NameN-(2-bromophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccn2)CC1)Nc1ccccc1Br
InChIInChI=1S/C17H19BrN4O/c18-14-5-1-2-6-15(14)20-17(23)13-21-9-11-22(12-10-21)16-7-3-4-8-19-16/h1-8H,9-13H2,(H,20,23)
InChIKeyKWJOJWBRBSATIB-UHFFFAOYSA-N
XLogP2.60
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-bromophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Sb-705498
CID 9910486
N-(2,4-Difluorophenyl)-4-(2-pyridinyl)-1-piperazineacetamide
CID 3547487
N,N'-Bis(2-pyridyl)oxalamide
CID 1927420
N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 4595252
N-(5-bromo-2-pyridinyl)-2-(4-morpholinyl)acetamide
CID 1237386
N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4780744
1-(2-bromophenyl)-3-[(3R)-1-[3-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl]urea
CID 24768245
1-(2-bromophenyl)-3-[(3R)-1-[4-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl]urea
CID 24768246
1-(2-bromophenyl)-3-[(3R)-1-(5-bromopyridin-2-yl)pyrrolidin-3-yl]urea
CID 24768248
1-(2-bromophenyl)-3-[(3R)-1-(5-chloropyridin-2-yl)pyrrolidin-3-yl]urea
CID 24768249
1-(2-bromophenyl)-3-[(3R)-1-(5-cyanopyridin-2-yl)pyrrolidin-3-yl]urea
CID 24768250
1-(2-bromophenyl)-3-[(3R)-1-(5-methylpyridin-2-yl)pyrrolidin-3-yl]urea
CID 24768251

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (CID 4207409) is N-(2-bromophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is O=C(CN1CCN(c2ccccn2)CC1)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is KWJOJWBRBSATIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O/c18-14-5-1-2-6-15(14)20-17(23)13-21-9-11-22(12-10-21)16-7-3-4-8-19-16/h1-8H,9-13H2,(H,20,23).
What are the key properties of N-(2-bromophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
N-(2-bromophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 375.27 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 4207409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).