N-[[3-fluoro-5-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methyl]-2-[5-(4-fluorophenyl)-2-pyridinyl]acetamide

C28H32F2N4O2 — CID 59000676

IUPACN-[[3-fluoro-5-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methyl]-2-[5-(4-fluorophenyl)-2-pyridinyl]acetamide
SMILESCN1CCN(CCCOc2cc(F)cc(CNC(=O)Cc3ccc(-c4ccc(F)cc4)cn3)c2)CC1
InChIInChI=1S/C28H32F2N4O2/c1-33-10-12-34(13-11-33)9-2-14-36-27-16-21(15-25(30)17-27)19-32-28(35)18-26-8-5-23(20-31-26)22-3-6-24(29)7-4-22/h3-8,15-17,20H,2,9-14,18-19H2,1H3,(H,32,35)
InChIKeyQTHVUKOCYRLPBA-UHFFFAOYSA-N
MW494.59 g/mol
LogP3.90
Rot. Bonds10

About N-[[3-fluoro-5-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methyl]-2-[5-(4-fluorophenyl)-2-pyridinyl]acetamide

N-[[3-fluoro-5-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methyl]-2-[5-(4-fluorophenyl)-2-pyridinyl]acetamide (PubChem CID 59000676) has the molecular formula C28H32F2N4O2 and a molecular weight of 494.59 g/mol. Its IUPAC name is N-[[3-fluoro-5-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methyl]-2-[5-(4-fluorophenyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[[3-fluoro-5-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methyl]-2-[5-(4-fluorophenyl)-2-pyridinyl]acetamide
PubChem CID59000676
Molecular FormulaC28H32F2N4O2
Molecular Weight494.59 g/mol
Exact Mass494.25
IUPAC NameN-[[3-fluoro-5-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methyl]-2-[5-(4-fluorophenyl)-2-pyridinyl]acetamide
SMILESCN1CCN(CCCOc2cc(F)cc(CNC(=O)Cc3ccc(-c4ccc(F)cc4)cn3)c2)CC1
InChIInChI=1S/C28H32F2N4O2/c1-33-10-12-34(13-11-33)9-2-14-36-27-16-21(15-25(30)17-27)19-32-28(35)18-26-8-5-23(20-31-26)22-3-6-24(29)7-4-22/h3-8,15-17,20H,2,9-14,18-19H2,1H3,(H,32,35)
InChIKeyQTHVUKOCYRLPBA-UHFFFAOYSA-N
XLogP3.90
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.59
LogP ≤ 53.90
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

ethane;2-[5-(4-ethoxyphenyl)-2-pyridinyl]-N-[[3-fluoro-5-(3-morpholin-4-ylpropoxy)phenyl]methyl]acetamide
CID 143708346
2-[5-(4-ethoxyphenyl)-2-pyridinyl]-N-[[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]methyl]acetamide
CID 11504134
N-[(3-fluorophenyl)methyl]-2-[5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridinyl]acetamide
CID 59000643
2-[5-(4-ethoxyphenyl)-2-pyridinyl]-N-[[3-fluoro-5-(4-methylpiperazin-1-yl)phenyl]methyl]acetamide
CID 59000696
2-[5-[4-(3,4-dihydro-2H-pyridin-1-yl)phenyl]-2-pyridinyl]-N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]acetamide
CID 143708334
N-benzyl-2-[5-[4-(4-morpholin-4-ylbutoxy)phenyl]-2-pyridinyl]acetamide
CID 166626298
N-benzyl-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-fluorophenyl)methyl]-2-(5-phenyl-2-pyridinyl)acetamide
CID 159739530
N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyridinyl]prop-1-en-2-amine
CID 143708409
2-[5-[2-ethyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide
CID 58450455
N-[(3-fluorophenyl)methyl]-2-[5-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]acetamide
CID 24944841
N-[(3-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-2-pyridinyl]acetamide
CID 163790106
N-[(E)-2-ethyl-6-fluorohex-2-en-4-ynyl]-2-[5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide
CID 143602140

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methyl]-2-[5-(4-fluorophenyl)-2-pyridinyl]acetamide?
The IUPAC name of N-[[3-fluoro-5-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methyl]-2-[5-(4-fluorophenyl)-2-pyridinyl]acetamide (CID 59000676) is N-[[3-fluoro-5-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methyl]-2-[5-(4-fluorophenyl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[[3-fluoro-5-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methyl]-2-[5-(4-fluorophenyl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[[3-fluoro-5-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methyl]-2-[5-(4-fluorophenyl)-2-pyridinyl]acetamide is CN1CCN(CCCOc2cc(F)cc(CNC(=O)Cc3ccc(-c4ccc(F)cc4)cn3)c2)CC1.
What is the InChIKey of N-[[3-fluoro-5-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methyl]-2-[5-(4-fluorophenyl)-2-pyridinyl]acetamide?
The InChIKey is QTHVUKOCYRLPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F2N4O2/c1-33-10-12-34(13-11-33)9-2-14-36-27-16-21(15-25(30)17-27)19-32-28(35)18-26-8-5-23(20-31-26)22-3-6-24(29)7-4-22/h3-8,15-17,20H,2,9-14,18-19H2,1H3,(H,32,35).
What are the key properties of N-[[3-fluoro-5-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methyl]-2-[5-(4-fluorophenyl)-2-pyridinyl]acetamide?
N-[[3-fluoro-5-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methyl]-2-[5-(4-fluorophenyl)-2-pyridinyl]acetamide has a molecular weight of 494.59 g/mol, XLogP of 3.90, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methyl]-2-[5-(4-fluorophenyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 59000676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).