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

C26H30FN5O2 — CID 58190146

IUPAC2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCN1CCN(CCOc2ccc(-c3ccc(CC(=O)NCc4ccccn4)cn3)c(F)c2)CC1
InChIInChI=1S/C26H30FN5O2/c1-31-10-12-32(13-11-31)14-15-34-22-6-7-23(24(27)17-22)25-8-5-20(18-29-25)16-26(33)30-19-21-4-2-3-9-28-21/h2-9,17-18H,10-16,19H2,1H3,(H,30,33)
InChIKeyLLXFRDJOISSPGI-UHFFFAOYSA-N
MW463.56 g/mol
LogP2.77
Rot. Bonds9

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

2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 58190146) has the molecular formula C26H30FN5O2 and a molecular weight of 463.56 g/mol. Its IUPAC name is 2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID58190146
Molecular FormulaC26H30FN5O2
Molecular Weight463.56 g/mol
Exact Mass463.24
IUPAC Name2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCN1CCN(CCOc2ccc(-c3ccc(CC(=O)NCc4ccccn4)cn3)c(F)c2)CC1
InChIInChI=1S/C26H30FN5O2/c1-31-10-12-32(13-11-31)14-15-34-22-6-7-23(24(27)17-22)25-8-5-20(18-29-25)16-26(33)30-19-21-4-2-3-9-28-21/h2-9,17-18H,10-16,19H2,1H3,(H,30,33)
InChIKeyLLXFRDJOISSPGI-UHFFFAOYSA-N
XLogP2.77
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide (CID 58190146) is 2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide is CN1CCN(CCOc2ccc(-c3ccc(CC(=O)NCc4ccccn4)cn3)c(F)c2)CC1.
What is the InChIKey of 2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is LLXFRDJOISSPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O2/c1-31-10-12-32(13-11-31)14-15-34-22-6-7-23(24(27)17-22)25-8-5-20(18-29-25)16-26(33)30-19-21-4-2-3-9-28-21/h2-9,17-18H,10-16,19H2,1H3,(H,30,33).
What are the key properties of 2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide?
2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 463.56 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 58190146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).