N-benzyl-2-[4-[2-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]acetamide

C26H29FN4O2 — CID 143257115

IUPACN-benzyl-2-[4-[2-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]acetamide
SMILESO=C(Cc1ccc(-c2ccc(OCCN3CCNCC3)nc2F)cc1)NCc1ccccc1
InChIInChI=1S/C26H29FN4O2/c27-26-23(10-11-25(30-26)33-17-16-31-14-12-28-13-15-31)22-8-6-20(7-9-22)18-24(32)29-19-21-4-2-1-3-5-21/h1-11,28H,12-19H2,(H,29,32)
InChIKeyLPUKUQAQYOIBJT-UHFFFAOYSA-N
MW448.54 g/mol
LogP3.03
Rot. Bonds9

About N-benzyl-2-[4-[2-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]acetamide

N-benzyl-2-[4-[2-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]acetamide (PubChem CID 143257115) has the molecular formula C26H29FN4O2 and a molecular weight of 448.54 g/mol. Its IUPAC name is N-benzyl-2-[4-[2-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-[2-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]acetamide
PubChem CID143257115
Molecular FormulaC26H29FN4O2
Molecular Weight448.54 g/mol
Exact Mass448.23
IUPAC NameN-benzyl-2-[4-[2-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]acetamide
SMILESO=C(Cc1ccc(-c2ccc(OCCN3CCNCC3)nc2F)cc1)NCc1ccccc1
InChIInChI=1S/C26H29FN4O2/c27-26-23(10-11-25(30-26)33-17-16-31-14-12-28-13-15-31)22-8-6-20(7-9-22)18-24(32)29-19-21-4-2-1-3-5-21/h1-11,28H,12-19H2,(H,29,32)
InChIKeyLPUKUQAQYOIBJT-UHFFFAOYSA-N
XLogP3.03
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-[2-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]acetamide?
The IUPAC name of N-benzyl-2-[4-[2-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]acetamide (CID 143257115) is N-benzyl-2-[4-[2-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-[2-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]acetamide?
The canonical SMILES for N-benzyl-2-[4-[2-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]acetamide is O=C(Cc1ccc(-c2ccc(OCCN3CCNCC3)nc2F)cc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[4-[2-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]acetamide?
The InChIKey is LPUKUQAQYOIBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O2/c27-26-23(10-11-25(30-26)33-17-16-31-14-12-28-13-15-31)22-8-6-20(7-9-22)18-24(32)29-19-21-4-2-1-3-5-21/h1-11,28H,12-19H2,(H,29,32).
What are the key properties of N-benzyl-2-[4-[2-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]acetamide?
N-benzyl-2-[4-[2-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]acetamide has a molecular weight of 448.54 g/mol, XLogP of 3.03, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-[2-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]acetamide is sourced from PubChem (CID 143257115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).