(4-ethylpiperazin-1-yl)-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]methanone

C19H23FN4O — CID 109186613

IUPAC(4-ethylpiperazin-1-yl)-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]methanone
SMILESCCN1CCN(C(=O)c2ccc(NCc3ccc(F)cc3)cn2)CC1
InChIInChI=1S/C19H23FN4O/c1-2-23-9-11-24(12-10-23)19(25)18-8-7-17(14-22-18)21-13-15-3-5-16(20)6-4-15/h3-8,14,21H,2,9-13H2,1H3
InChIKeyJNNWJBQWSMMEBJ-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.61
Rot. Bonds5

About (4-ethylpiperazin-1-yl)-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]methanone

(4-ethylpiperazin-1-yl)-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]methanone (PubChem CID 109186613) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]methanone
PubChem CID109186613
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name(4-ethylpiperazin-1-yl)-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]methanone
SMILESCCN1CCN(C(=O)c2ccc(NCc3ccc(F)cc3)cn2)CC1
InChIInChI=1S/C19H23FN4O/c1-2-23-9-11-24(12-10-23)19(25)18-8-7-17(14-22-18)21-13-15-3-5-16(20)6-4-15/h3-8,14,21H,2,9-13H2,1H3
InChIKeyJNNWJBQWSMMEBJ-UHFFFAOYSA-N
XLogP2.61
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109186615
(4-ethylpiperazin-1-yl)-[5-(4-fluoroanilino)-2-pyridinyl]methanone
CID 109186689
(4-ethylpiperazin-1-yl)-[5-(4-fluoroanilino)pyrazin-2-yl]methanone
CID 109278506
(4-ethylpiperazin-1-yl)-[5-(3-methoxypropylamino)-2-pyridinyl]methanone
CID 109184383
[5-(3,4-difluoroanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109186753
(4-ethylpiperazin-1-yl)-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone
CID 109186751
[5-(aminomethyl)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 63722502
(4-ethylpiperazin-1-yl)-[4-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone
CID 109208424
6-(4-ethylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109096789
[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182563
[5-(pyridin-4-ylmethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181808
[5-[(4-methylphenyl)methylamino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109188753

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]methanone (CID 109186613) is (4-ethylpiperazin-1-yl)-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]methanone is CCN1CCN(C(=O)c2ccc(NCc3ccc(F)cc3)cn2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]methanone?
The InChIKey is JNNWJBQWSMMEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-2-23-9-11-24(12-10-23)19(25)18-8-7-17(14-22-18)21-13-15-3-5-16(20)6-4-15/h3-8,14,21H,2,9-13H2,1H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]methanone?
(4-ethylpiperazin-1-yl)-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]methanone has a molecular weight of 342.42 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]methanone is sourced from PubChem (CID 109186613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).