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

C18H21FN4O — CID 109186689

IUPAC(4-ethylpiperazin-1-yl)-[5-(4-fluoroanilino)-2-pyridinyl]methanone
SMILESCCN1CCN(C(=O)c2ccc(Nc3ccc(F)cc3)cn2)CC1
InChIInChI=1S/C18H21FN4O/c1-2-22-9-11-23(12-10-22)18(24)17-8-7-16(13-20-17)21-15-5-3-14(19)4-6-15/h3-8,13,21H,2,9-12H2,1H3
InChIKeyRQDWPMZQRXCYSX-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.74
Rot. Bonds4

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

(4-ethylpiperazin-1-yl)-[5-(4-fluoroanilino)-2-pyridinyl]methanone (PubChem CID 109186689) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[5-(4-fluoroanilino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[5-(4-fluoroanilino)-2-pyridinyl]methanone
PubChem CID109186689
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name(4-ethylpiperazin-1-yl)-[5-(4-fluoroanilino)-2-pyridinyl]methanone
SMILESCCN1CCN(C(=O)c2ccc(Nc3ccc(F)cc3)cn2)CC1
InChIInChI=1S/C18H21FN4O/c1-2-22-9-11-23(12-10-22)18(24)17-8-7-16(13-20-17)21-15-5-3-14(19)4-6-15/h3-8,13,21H,2,9-12H2,1H3
InChIKeyRQDWPMZQRXCYSX-UHFFFAOYSA-N
XLogP2.74
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3,4-difluoroanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109186753
(4-ethylpiperazin-1-yl)-[5-(4-fluoroanilino)pyrazin-2-yl]methanone
CID 109278506
(4-ethylpiperazin-1-yl)-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]methanone
CID 109186613
(4-ethylpiperazin-1-yl)-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone
CID 109186751
[5-(4-fluoroanilino)-2-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109193490
(4-ethylpiperazin-1-yl)-[6-(4-fluoroanilino)pyrimidin-4-yl]methanone
CID 109345486
(4-ethylpiperazin-1-yl)-[5-(3-methoxypropylamino)-2-pyridinyl]methanone
CID 109184383
[5-(aminomethyl)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 63722502
[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109186615
[5-(4-fluoroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196342
(5-anilinopyrazin-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 109278481
N-[4-[[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109181915

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[5-(4-fluoroanilino)-2-pyridinyl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[5-(4-fluoroanilino)-2-pyridinyl]methanone (CID 109186689) is (4-ethylpiperazin-1-yl)-[5-(4-fluoroanilino)-2-pyridinyl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[5-(4-fluoroanilino)-2-pyridinyl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[5-(4-fluoroanilino)-2-pyridinyl]methanone is CCN1CCN(C(=O)c2ccc(Nc3ccc(F)cc3)cn2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[5-(4-fluoroanilino)-2-pyridinyl]methanone?
The InChIKey is RQDWPMZQRXCYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-2-22-9-11-23(12-10-22)18(24)17-8-7-16(13-20-17)21-15-5-3-14(19)4-6-15/h3-8,13,21H,2,9-12H2,1H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[5-(4-fluoroanilino)-2-pyridinyl]methanone?
(4-ethylpiperazin-1-yl)-[5-(4-fluoroanilino)-2-pyridinyl]methanone has a molecular weight of 328.39 g/mol, XLogP of 2.74, 4 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-fluoroanilino)-2-pyridinyl]methanone is sourced from PubChem (CID 109186689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).