N-(2-chloro-4,6-dimethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

C19H23ClN4O — CID 8545961

IUPACN-(2-chloro-4,6-dimethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESCc1cc(C)c(NC(=O)CN2CCN(c3ccccn3)CC2)c(Cl)c1
InChIInChI=1S/C19H23ClN4O/c1-14-11-15(2)19(16(20)12-14)22-18(25)13-23-7-9-24(10-8-23)17-5-3-4-6-21-17/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,25)
InChIKeySWSKHSPZFBBTJK-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.11
Rot. Bonds4

About N-(2-chloro-4,6-dimethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

N-(2-chloro-4,6-dimethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (PubChem CID 8545961) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
PubChem CID8545961
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESCc1cc(C)c(NC(=O)CN2CCN(c3ccccn3)CC2)c(Cl)c1
InChIInChI=1S/C19H23ClN4O/c1-14-11-15(2)19(16(20)12-14)22-18(25)13-23-7-9-24(10-8-23)17-5-3-4-6-21-17/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,25)
InChIKeySWSKHSPZFBBTJK-UHFFFAOYSA-N
XLogP3.11
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34733225
2-(4-pyridazin-3-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 138992592
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 71866668
N-(3-fluoro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4566699
ethyl 4-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 8931888
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 3236086
N-(3-chloro-4-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 5043291
N-(3,5-dimethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 15995513
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 109004730
N-(4,6-dimethoxypyrimidin-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 17496713
N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide
CID 19224279
N-(2-chloro-4,6-dimethylphenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 18137943

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (CID 8545961) is N-(2-chloro-4,6-dimethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is Cc1cc(C)c(NC(=O)CN2CCN(c3ccccn3)CC2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is SWSKHSPZFBBTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-14-11-15(2)19(16(20)12-14)22-18(25)13-23-7-9-24(10-8-23)17-5-3-4-6-21-17/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,25).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
N-(2-chloro-4,6-dimethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 358.87 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 8545961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).