2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide

C19H22BrClN4O2 — CID 37406488

IUPAC2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CN1CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C19H22BrClN4O2/c1-13-9-16(17(27-2)10-15(13)21)23-19(26)12-24-5-7-25(8-6-24)18-4-3-14(20)11-22-18/h3-4,9-11H,5-8,12H2,1-2H3,(H,23,26)
InChIKeyLLLZRYSBIVBZOI-UHFFFAOYSA-N
MW453.77 g/mol
LogP3.58
Rot. Bonds5

About 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide

2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide (PubChem CID 37406488) has the molecular formula C19H22BrClN4O2 and a molecular weight of 453.77 g/mol. Its IUPAC name is 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
PubChem CID37406488
Molecular FormulaC19H22BrClN4O2
Molecular Weight453.77 g/mol
Exact Mass452.06
IUPAC Name2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CN1CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C19H22BrClN4O2/c1-13-9-16(17(27-2)10-15(13)21)23-19(26)12-24-5-7-25(8-6-24)18-4-3-14(20)11-22-18/h3-4,9-11H,5-8,12H2,1-2H3,(H,23,26)
InChIKeyLLLZRYSBIVBZOI-UHFFFAOYSA-N
XLogP3.58
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.77
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 37406662
2-(4-acetylpiperazin-1-yl)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 2563712
2-[4-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-phenylacetamide
CID 31291782
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 2656218
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 27208064
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-chlorophenyl)acetamide
CID 37406520
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 33073914
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34942346
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152600
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 30776742
N-(5-acetamido-2-methoxyphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 55411221
1-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid
CID 122121791

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide (CID 37406488) is 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide is COc1cc(Cl)c(C)cc1NC(=O)CN1CCN(c2ccc(Br)cn2)CC1.
What is the InChIKey of 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
The InChIKey is LLLZRYSBIVBZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrClN4O2/c1-13-9-16(17(27-2)10-15(13)21)23-19(26)12-24-5-7-25(8-6-24)18-4-3-14(20)11-22-18/h3-4,9-11H,5-8,12H2,1-2H3,(H,23,26).
What are the key properties of 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide has a molecular weight of 453.77 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 37406488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).