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

C24H27FN6O2 — CID 143257120

IUPAC2-[4-[4-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide
SMILESO=C(Cc1ccc(-c2cnc(OCCN3CCNCC3)cc2F)cc1)NCc1ncccn1
InChIInChI=1S/C24H27FN6O2/c25-21-15-24(33-13-12-31-10-8-26-9-11-31)30-16-20(21)19-4-2-18(3-5-19)14-23(32)29-17-22-27-6-1-7-28-22/h1-7,15-16,26H,8-14,17H2,(H,29,32)
InChIKeySDXBVASMMCKABM-UHFFFAOYSA-N
MW450.52 g/mol
LogP1.82
Rot. Bonds9

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

2-[4-[4-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide (PubChem CID 143257120) has the molecular formula C24H27FN6O2 and a molecular weight of 450.52 g/mol. Its IUPAC name is 2-[4-[4-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-[4-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide
PubChem CID143257120
Molecular FormulaC24H27FN6O2
Molecular Weight450.52 g/mol
Exact Mass450.22
IUPAC Name2-[4-[4-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide
SMILESO=C(Cc1ccc(-c2cnc(OCCN3CCNCC3)cc2F)cc1)NCc1ncccn1
InChIInChI=1S/C24H27FN6O2/c25-21-15-24(33-13-12-31-10-8-26-9-11-31)30-16-20(21)19-4-2-18(3-5-19)14-23(32)29-17-22-27-6-1-7-28-22/h1-7,15-16,26H,8-14,17H2,(H,29,32)
InChIKeySDXBVASMMCKABM-UHFFFAOYSA-N
XLogP1.82
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-[4-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide (CID 143257120) is 2-[4-[4-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-[4-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-[4-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide is O=C(Cc1ccc(-c2cnc(OCCN3CCNCC3)cc2F)cc1)NCc1ncccn1.
What is the InChIKey of 2-[4-[4-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide?
The InChIKey is SDXBVASMMCKABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O2/c25-21-15-24(33-13-12-31-10-8-26-9-11-31)30-16-20(21)19-4-2-18(3-5-19)14-23(32)29-17-22-27-6-1-7-28-22/h1-7,15-16,26H,8-14,17H2,(H,29,32).
What are the key properties of 2-[4-[4-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide?
2-[4-[4-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide has a molecular weight of 450.52 g/mol, XLogP of 1.82, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide is sourced from PubChem (CID 143257120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).