2-(2,6-dichlorophenyl)-2-[6-[2-(piperazin-1-ylmethyl)phenyl]-2-pyridinyl]acetamide

C24H24Cl2N4O — CID 21354081

IUPAC2-(2,6-dichlorophenyl)-2-[6-[2-(piperazin-1-ylmethyl)phenyl]-2-pyridinyl]acetamide
SMILESNC(=O)C(c1cccc(-c2ccccc2CN2CCNCC2)n1)c1c(Cl)cccc1Cl
InChIInChI=1S/C24H24Cl2N4O/c25-18-7-3-8-19(26)22(18)23(24(27)31)21-10-4-9-20(29-21)17-6-2-1-5-16(17)15-30-13-11-28-12-14-30/h1-10,23,28H,11-15H2,(H2,27,31)
InChIKeyWNROXKRUSBNNLR-UHFFFAOYSA-N
MW455.39 g/mol
LogP4.08
Rot. Bonds6

About 2-(2,6-dichlorophenyl)-2-[6-[2-(piperazin-1-ylmethyl)phenyl]-2-pyridinyl]acetamide

2-(2,6-dichlorophenyl)-2-[6-[2-(piperazin-1-ylmethyl)phenyl]-2-pyridinyl]acetamide (PubChem CID 21354081) has the molecular formula C24H24Cl2N4O and a molecular weight of 455.39 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-2-[6-[2-(piperazin-1-ylmethyl)phenyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-2-[6-[2-(piperazin-1-ylmethyl)phenyl]-2-pyridinyl]acetamide
PubChem CID21354081
Molecular FormulaC24H24Cl2N4O
Molecular Weight455.39 g/mol
Exact Mass454.13
IUPAC Name2-(2,6-dichlorophenyl)-2-[6-[2-(piperazin-1-ylmethyl)phenyl]-2-pyridinyl]acetamide
SMILESNC(=O)C(c1cccc(-c2ccccc2CN2CCNCC2)n1)c1c(Cl)cccc1Cl
InChIInChI=1S/C24H24Cl2N4O/c25-18-7-3-8-19(26)22(18)23(24(27)31)21-10-4-9-20(29-21)17-6-2-1-5-16(17)15-30-13-11-28-12-14-30/h1-10,23,28H,11-15H2,(H2,27,31)
InChIKeyWNROXKRUSBNNLR-UHFFFAOYSA-N
XLogP4.08
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.39
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(3-chloro-2-methylphenyl)-4-(1,5-diazocan-1-ylmethyl)-2-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
CID 20596557
2-(2,6-dichlorophenyl)-2-[6-(2-formylphenyl)-2-pyridinyl]acetamide
CID 21354072
2-[4-(1,4-diazepan-1-ylmethyl)-6-(2,4-difluorophenyl)-2-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
CID 20596533
2-(2,6-dichlorophenyl)-2-[6-(4-fluoronaphthalen-1-yl)-2-pyridinyl]acetamide
CID 21354094
4-[6-[2-amino-1-(2,6-dichlorophenyl)-2-oxoethyl]-2-pyridinyl]benzoic acid
CID 21354189
[2-[2-amino-1-(2,6-dichlorophenyl)-2-oxoethyl]-6-(3-chloro-2-methylphenyl)-4-pyridinyl]methyl methanesulfonate;2-[6-(3-chloro-2-methylphenyl)-4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-2-(2,6-dichlorophenyl)acetamide;methane
CID 158483290
2-(2-chloro-6-fluorophenyl)-2-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]acetamide
CID 21354137
8-[2-[2-(piperazin-1-ylmethyl)phenyl]phenyl]quinoline
CID 91803359
1-[(2,6-dichlorophenyl)methyl]piperazine
CID 770796
2-[2-(piperazin-1-ylmethyl)phenyl]acetohydrazide
CID 115465423
1-[(3-chloro-2-pyrrolidin-1-ylphenyl)methyl]piperazine;piperazine
CID 174835848
1-[(2-ethylphenyl)methyl]piperazine
CID 62415674

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-2-[6-[2-(piperazin-1-ylmethyl)phenyl]-2-pyridinyl]acetamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-2-[6-[2-(piperazin-1-ylmethyl)phenyl]-2-pyridinyl]acetamide (CID 21354081) is 2-(2,6-dichlorophenyl)-2-[6-[2-(piperazin-1-ylmethyl)phenyl]-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-2-[6-[2-(piperazin-1-ylmethyl)phenyl]-2-pyridinyl]acetamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-2-[6-[2-(piperazin-1-ylmethyl)phenyl]-2-pyridinyl]acetamide is NC(=O)C(c1cccc(-c2ccccc2CN2CCNCC2)n1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)-2-[6-[2-(piperazin-1-ylmethyl)phenyl]-2-pyridinyl]acetamide?
The InChIKey is WNROXKRUSBNNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N4O/c25-18-7-3-8-19(26)22(18)23(24(27)31)21-10-4-9-20(29-21)17-6-2-1-5-16(17)15-30-13-11-28-12-14-30/h1-10,23,28H,11-15H2,(H2,27,31).
What are the key properties of 2-(2,6-dichlorophenyl)-2-[6-[2-(piperazin-1-ylmethyl)phenyl]-2-pyridinyl]acetamide?
2-(2,6-dichlorophenyl)-2-[6-[2-(piperazin-1-ylmethyl)phenyl]-2-pyridinyl]acetamide has a molecular weight of 455.39 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-2-[6-[2-(piperazin-1-ylmethyl)phenyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 21354081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).