2-(3,4-dichlorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide

C20H24Cl2N4O2 — CID 55911620

IUPAC2-(3,4-dichlorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
SMILESCC(Oc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccnc(N2CCN(C)CC2)c1
InChIInChI=1S/C20H24Cl2N4O2/c1-14(28-16-3-4-17(21)18(22)12-16)20(27)24-13-15-5-6-23-19(11-15)26-9-7-25(2)8-10-26/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,24,27)
InChIKeyPNDKBBSICQVLEC-UHFFFAOYSA-N
MW423.34 g/mol
LogP3.22
Rot. Bonds6

About 2-(3,4-dichlorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide

2-(3,4-dichlorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide (PubChem CID 55911620) has the molecular formula C20H24Cl2N4O2 and a molecular weight of 423.34 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
PubChem CID55911620
Molecular FormulaC20H24Cl2N4O2
Molecular Weight423.34 g/mol
Exact Mass422.13
IUPAC Name2-(3,4-dichlorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
SMILESCC(Oc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccnc(N2CCN(C)CC2)c1
InChIInChI=1S/C20H24Cl2N4O2/c1-14(28-16-3-4-17(21)18(22)12-16)20(27)24-13-15-5-6-23-19(11-15)26-9-7-25(2)8-10-26/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,24,27)
InChIKeyPNDKBBSICQVLEC-UHFFFAOYSA-N
XLogP3.22
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
CID 119901488
3-chloro-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyridine-2-carboxamide
CID 122134483
4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
CID 155944201
2-(2,5-dichlorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]acetamide
CID 55742632
2,4-dichloro-5-fluoro-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide
CID 55742565
1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 119901458
1-[(2R)-1-methoxypropan-2-yl]-1-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea
CID 94178037
2-(3-fluorophenoxy)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide
CID 86984881
2-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 32585275
1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide;trihydrochloride
CID 119901457
2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide
CID 119947480
1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]guanidine;hydroiodide
CID 111679207

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide?
The IUPAC name of 2-(3,4-dichlorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide (CID 55911620) is 2-(3,4-dichlorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide is CC(Oc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccnc(N2CCN(C)CC2)c1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide?
The InChIKey is PNDKBBSICQVLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N4O2/c1-14(28-16-3-4-17(21)18(22)12-16)20(27)24-13-15-5-6-23-19(11-15)26-9-7-25(2)8-10-26/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,24,27).
What are the key properties of 2-(3,4-dichlorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide?
2-(3,4-dichlorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide has a molecular weight of 423.34 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide is sourced from PubChem (CID 55911620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).