5-(2,5-dimethylphenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pentanamide

C24H34N4O2 — CID 47925567

IUPAC5-(2,5-dimethylphenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pentanamide
SMILESCc1ccc(C)c(OCCCCC(=O)NCc2ccnc(N3CCN(C)CC3)c2)c1
InChIInChI=1S/C24H34N4O2/c1-19-7-8-20(2)22(16-19)30-15-5-4-6-24(29)26-18-21-9-10-25-23(17-21)28-13-11-27(3)12-14-28/h7-10,16-17H,4-6,11-15,18H2,1-3H3,(H,26,29)
InChIKeyZKIJSTKEWTZDIQ-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.32
Rot. Bonds9

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

5-(2,5-dimethylphenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pentanamide (PubChem CID 47925567) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is 5-(2,5-dimethylphenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pentanamide.

Molecular Properties

Compound Name5-(2,5-dimethylphenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pentanamide
PubChem CID47925567
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC Name5-(2,5-dimethylphenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pentanamide
SMILESCc1ccc(C)c(OCCCCC(=O)NCc2ccnc(N3CCN(C)CC3)c2)c1
InChIInChI=1S/C24H34N4O2/c1-19-7-8-20(2)22(16-19)30-15-5-4-6-24(29)26-18-21-9-10-25-23(17-21)28-13-11-27(3)12-14-28/h7-10,16-17H,4-6,11-15,18H2,1-3H3,(H,26,29)
InChIKeyZKIJSTKEWTZDIQ-UHFFFAOYSA-N
XLogP3.32
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-methylphenoxy)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]butanamide
CID 37313546
3-(3-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
CID 55742598
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-(2-phenylethoxy)butanamide
CID 55911750
4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
CID 155944201
1-[2-(3-methylphenoxy)ethyl]-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea
CID 47040157
3-(2,5-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 27259732
N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]pentanamide
CID 49172277
(2R)-2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
CID 119901488
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
CID 55820094
4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32586251
1-(2,5-dimethylphenyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55742599
2-(2,5-dichlorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]acetamide
CID 55742632

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pentanamide?
The IUPAC name of 5-(2,5-dimethylphenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pentanamide (CID 47925567) is 5-(2,5-dimethylphenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pentanamide.
What is the SMILES notation for 5-(2,5-dimethylphenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pentanamide?
The canonical SMILES for 5-(2,5-dimethylphenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pentanamide is Cc1ccc(C)c(OCCCCC(=O)NCc2ccnc(N3CCN(C)CC3)c2)c1.
What is the InChIKey of 5-(2,5-dimethylphenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pentanamide?
The InChIKey is ZKIJSTKEWTZDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-19-7-8-20(2)22(16-19)30-15-5-4-6-24(29)26-18-21-9-10-25-23(17-21)28-13-11-27(3)12-14-28/h7-10,16-17H,4-6,11-15,18H2,1-3H3,(H,26,29).
What are the key properties of 5-(2,5-dimethylphenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pentanamide?
5-(2,5-dimethylphenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pentanamide has a molecular weight of 410.56 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pentanamide is sourced from PubChem (CID 47925567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).