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

C27H31FN4O2 — CID 11655579

IUPACN-[(3-fluorophenyl)methyl]-2-[5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide
SMILESCN1CCN(CCOc2ccc(-c3ccc(CC(=O)NCc4cccc(F)c4)nc3)cc2)CC1
InChIInChI=1S/C27H31FN4O2/c1-31-11-13-32(14-12-31)15-16-34-26-9-6-22(7-10-26)23-5-8-25(29-20-23)18-27(33)30-19-21-3-2-4-24(28)17-21/h2-10,17,20H,11-16,18-19H2,1H3,(H,30,33)
InChIKeyGFEVXFPXHHJFAJ-UHFFFAOYSA-N
MW462.57 g/mol
LogP3.37
Rot. Bonds9

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

N-[(3-fluorophenyl)methyl]-2-[5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide (PubChem CID 11655579) has the molecular formula C27H31FN4O2 and a molecular weight of 462.57 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-[5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-[5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide
PubChem CID11655579
Molecular FormulaC27H31FN4O2
Molecular Weight462.57 g/mol
Exact Mass462.24
IUPAC NameN-[(3-fluorophenyl)methyl]-2-[5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide
SMILESCN1CCN(CCOc2ccc(-c3ccc(CC(=O)NCc4cccc(F)c4)nc3)cc2)CC1
InChIInChI=1S/C27H31FN4O2/c1-31-11-13-32(14-12-31)15-16-34-26-9-6-22(7-10-26)23-5-8-25(29-20-23)18-27(33)30-19-21-3-2-4-24(28)17-21/h2-10,17,20H,11-16,18-19H2,1H3,(H,30,33)
InChIKeyGFEVXFPXHHJFAJ-UHFFFAOYSA-N
XLogP3.37
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-[5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-[5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide (CID 11655579) is N-[(3-fluorophenyl)methyl]-2-[5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-[5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-[5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide is CN1CCN(CCOc2ccc(-c3ccc(CC(=O)NCc4cccc(F)c4)nc3)cc2)CC1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-[5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide?
The InChIKey is GFEVXFPXHHJFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN4O2/c1-31-11-13-32(14-12-31)15-16-34-26-9-6-22(7-10-26)23-5-8-25(29-20-23)18-27(33)30-19-21-3-2-4-24(28)17-21/h2-10,17,20H,11-16,18-19H2,1H3,(H,30,33).
What are the key properties of N-[(3-fluorophenyl)methyl]-2-[5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide?
N-[(3-fluorophenyl)methyl]-2-[5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide has a molecular weight of 462.57 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-[5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 11655579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).