2-[4-[4-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide

C28H33FN4O2 — CID 58190184

IUPAC2-[4-[4-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)Cc2ccc(-c3cnc(OCCN4CCN(C)CC4)cc3F)cc2)c1
InChIInChI=1S/C28H33FN4O2/c1-21-4-3-5-23(16-21)19-30-27(34)17-22-6-8-24(9-7-22)25-20-31-28(18-26(25)29)35-15-14-33-12-10-32(2)11-13-33/h3-9,16,18,20H,10-15,17,19H2,1-2H3,(H,30,34)
InChIKeyCFGRVALWCTWRDL-UHFFFAOYSA-N
MW476.60 g/mol
LogP3.68
Rot. Bonds9

About 2-[4-[4-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide

2-[4-[4-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 58190184) has the molecular formula C28H33FN4O2 and a molecular weight of 476.60 g/mol. Its IUPAC name is 2-[4-[4-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-[4-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide
PubChem CID58190184
Molecular FormulaC28H33FN4O2
Molecular Weight476.60 g/mol
Exact Mass476.26
IUPAC Name2-[4-[4-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)Cc2ccc(-c3cnc(OCCN4CCN(C)CC4)cc3F)cc2)c1
InChIInChI=1S/C28H33FN4O2/c1-21-4-3-5-23(16-21)19-30-27(34)17-22-6-8-24(9-7-22)25-20-31-28(18-26(25)29)35-15-14-33-12-10-32(2)11-13-33/h3-9,16,18,20H,10-15,17,19H2,1-2H3,(H,30,34)
InChIKeyCFGRVALWCTWRDL-UHFFFAOYSA-N
XLogP3.68
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[4-fluoro-6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide
CID 58190221
2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-2-yl]-N-[(3-methylphenyl)methyl]acetamide
CID 58190300
2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-[(3-fluorophenyl)methyl]acetamide
CID 59000730
2-[4-[4-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide
CID 143257120
2-[5-[2-ethyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide
CID 58450455
2-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-5-yl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide
CID 59000717
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
2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 58795751
N-benzyl-2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-2-yl]acetamide
CID 59000720
2-(3-fluoro-4-phenylphenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 58190266
N-benzyl-2-[4-[2-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]acetamide
CID 143257115
N-[(3-fluorophenyl)methyl]-2-[5-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]acetamide
CID 24944841

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[4-[4-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide (CID 58190184) is 2-[4-[4-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-[4-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-[4-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide is Cc1cccc(CNC(=O)Cc2ccc(-c3cnc(OCCN4CCN(C)CC4)cc3F)cc2)c1.
What is the InChIKey of 2-[4-[4-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is CFGRVALWCTWRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN4O2/c1-21-4-3-5-23(16-21)19-30-27(34)17-22-6-8-24(9-7-22)25-20-31-28(18-26(25)29)35-15-14-33-12-10-32(2)11-13-33/h3-9,16,18,20H,10-15,17,19H2,1-2H3,(H,30,34).
What are the key properties of 2-[4-[4-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide?
2-[4-[4-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 476.60 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 58190184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).