(4-ethylpiperazin-1-yl)-[4-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone

C20H25FN4O — CID 109208424

IUPAC(4-ethylpiperazin-1-yl)-[4-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone
SMILESCCN1CCN(C(=O)c2cc(NCCc3ccc(F)cc3)ccn2)CC1
InChIInChI=1S/C20H25FN4O/c1-2-24-11-13-25(14-12-24)20(26)19-15-18(8-10-23-19)22-9-7-16-3-5-17(21)6-4-16/h3-6,8,10,15H,2,7,9,11-14H2,1H3,(H,22,23)
InChIKeyWZKQROGXHOKQMM-UHFFFAOYSA-N
MW356.44 g/mol
LogP2.65
Rot. Bonds6

About (4-ethylpiperazin-1-yl)-[4-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone

(4-ethylpiperazin-1-yl)-[4-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone (PubChem CID 109208424) has the molecular formula C20H25FN4O and a molecular weight of 356.44 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[4-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[4-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone
PubChem CID109208424
Molecular FormulaC20H25FN4O
Molecular Weight356.44 g/mol
Exact Mass356.20
IUPAC Name(4-ethylpiperazin-1-yl)-[4-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone
SMILESCCN1CCN(C(=O)c2cc(NCCc3ccc(F)cc3)ccn2)CC1
InChIInChI=1S/C20H25FN4O/c1-2-24-11-13-25(14-12-24)20(26)19-15-18(8-10-23-19)22-9-7-16-3-5-17(21)6-4-16/h3-6,8,10,15H,2,7,9,11-14H2,1H3,(H,22,23)
InChIKeyWZKQROGXHOKQMM-UHFFFAOYSA-N
XLogP2.65
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-ethylpiperazin-1-yl)-[4-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone with MolForge

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Related Compounds

[4-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205101
[4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109208435
[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208083
[4-(2-phenylethylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109213641
(4-ethylpiperazin-1-yl)-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]methanone
CID 109186613
N-[2-(4-fluorophenyl)ethyl]-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109214099
[4-(3,5-dichloroanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109208539
(4-ethylpiperazin-1-yl)-[6-(4-fluoroanilino)pyrimidin-4-yl]methanone
CID 109345486
1-[4-[4-(4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209084
[2-[2-(4-chlorophenyl)ethylamino]-4-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109168648
[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182563
(4-ethylpiperazin-1-yl)-[5-(4-fluoroanilino)-2-pyridinyl]methanone
CID 109186689

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[4-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[4-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone (CID 109208424) is (4-ethylpiperazin-1-yl)-[4-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[4-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[4-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone is CCN1CCN(C(=O)c2cc(NCCc3ccc(F)cc3)ccn2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[4-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone?
The InChIKey is WZKQROGXHOKQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O/c1-2-24-11-13-25(14-12-24)20(26)19-15-18(8-10-23-19)22-9-7-16-3-5-17(21)6-4-16/h3-6,8,10,15H,2,7,9,11-14H2,1H3,(H,22,23).
What are the key properties of (4-ethylpiperazin-1-yl)-[4-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone?
(4-ethylpiperazin-1-yl)-[4-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone has a molecular weight of 356.44 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[4-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone is sourced from PubChem (CID 109208424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).