2-(2,5-dichlorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]acetamide

C19H22Cl2N4O2 — CID 55742632

IUPAC2-(2,5-dichlorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]acetamide
SMILESCN1CCN(c2cc(CNC(=O)COc3cc(Cl)ccc3Cl)ccn2)CC1
InChIInChI=1S/C19H22Cl2N4O2/c1-24-6-8-25(9-7-24)18-10-14(4-5-22-18)12-23-19(26)13-27-17-11-15(20)2-3-16(17)21/h2-5,10-11H,6-9,12-13H2,1H3,(H,23,26)
InChIKeyMTNJIEYNWGYHNP-UHFFFAOYSA-N
MW409.32 g/mol
LogP2.84
Rot. Bonds6

About 2-(2,5-dichlorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]acetamide

2-(2,5-dichlorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]acetamide (PubChem CID 55742632) has the molecular formula C19H22Cl2N4O2 and a molecular weight of 409.32 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]acetamide
PubChem CID55742632
Molecular FormulaC19H22Cl2N4O2
Molecular Weight409.32 g/mol
Exact Mass408.11
IUPAC Name2-(2,5-dichlorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]acetamide
SMILESCN1CCN(c2cc(CNC(=O)COc3cc(Cl)ccc3Cl)ccn2)CC1
InChIInChI=1S/C19H22Cl2N4O2/c1-24-6-8-25(9-7-24)18-10-14(4-5-22-18)12-23-19(26)13-27-17-11-15(20)2-3-16(17)21/h2-5,10-11H,6-9,12-13H2,1H3,(H,23,26)
InChIKeyMTNJIEYNWGYHNP-UHFFFAOYSA-N
XLogP2.84
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2,5-dichlorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]acetamide with MolForge

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Related Compounds

2-(4-acetyl-2-methoxyphenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]acetamide
CID 55742869
2-(2,5-dichlorophenoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 37481539
2-(3,4-dichlorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
CID 55911620
4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
CID 155944201
3-chloro-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyridine-2-carboxamide
CID 122134483
2-(2,5-dichlorophenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43992897
2,4-dichloro-5-fluoro-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide
CID 55742565
2-(2,5-dichlorophenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 35616684
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-pyrazol-1-ylacetamide
CID 53499617
1-[(4-chlorophenyl)methyl]-2-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]guanidine;hydroiodide
CID 111130931
3-(3-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
CID 55742598
2-(2,5-dichlorophenoxy)-N-[(4-thiomorpholin-4-ylphenyl)methyl]acetamide
CID 55854945

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]acetamide?
The IUPAC name of 2-(2,5-dichlorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]acetamide (CID 55742632) is 2-(2,5-dichlorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]acetamide is CN1CCN(c2cc(CNC(=O)COc3cc(Cl)ccc3Cl)ccn2)CC1.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]acetamide?
The InChIKey is MTNJIEYNWGYHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N4O2/c1-24-6-8-25(9-7-24)18-10-14(4-5-22-18)12-23-19(26)13-27-17-11-15(20)2-3-16(17)21/h2-5,10-11H,6-9,12-13H2,1H3,(H,23,26).
What are the key properties of 2-(2,5-dichlorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]acetamide?
2-(2,5-dichlorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]acetamide has a molecular weight of 409.32 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]acetamide is sourced from PubChem (CID 55742632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).