(4-ethylpiperazin-1-yl)-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone

C18H19F3N4O — CID 109186751

IUPAC(4-ethylpiperazin-1-yl)-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone
SMILESCCN1CCN(C(=O)c2ccc(Nc3ccc(F)c(F)c3F)cn2)CC1
InChIInChI=1S/C18H19F3N4O/c1-2-24-7-9-25(10-8-24)18(26)15-5-3-12(11-22-15)23-14-6-4-13(19)16(20)17(14)21/h3-6,11,23H,2,7-10H2,1H3
InChIKeyHPNISXGVBGLXIM-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.02
Rot. Bonds4

About (4-ethylpiperazin-1-yl)-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone

(4-ethylpiperazin-1-yl)-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone (PubChem CID 109186751) has the molecular formula C18H19F3N4O and a molecular weight of 364.37 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone
PubChem CID109186751
Molecular FormulaC18H19F3N4O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC Name(4-ethylpiperazin-1-yl)-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone
SMILESCCN1CCN(C(=O)c2ccc(Nc3ccc(F)c(F)c3F)cn2)CC1
InChIInChI=1S/C18H19F3N4O/c1-2-24-7-9-25(10-8-24)18(26)15-5-3-12(11-22-15)23-14-6-4-13(19)16(20)17(14)21/h3-6,11,23H,2,7-10H2,1H3
InChIKeyHPNISXGVBGLXIM-UHFFFAOYSA-N
XLogP3.02
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

pyrrolidin-1-yl-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone
CID 109181962
[5-(3,4-difluoroanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109186753
(4-ethylpiperazin-1-yl)-[5-(4-fluoroanilino)-2-pyridinyl]methanone
CID 109186689
(4-ethylpiperazin-1-yl)-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]methanone
CID 109186613
[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109186615
N,N-diethyl-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
CID 109194712
(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-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109186744
N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
CID 109197490
(4-ethylpiperazin-1-yl)-[6-(4-fluoroanilino)pyrimidin-4-yl]methanone
CID 109345486
(6-bromo-5-fluoro-2-pyridinyl)-(4-ethylpiperazin-1-yl)methanone
CID 167714000

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone (CID 109186751) is (4-ethylpiperazin-1-yl)-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone is CCN1CCN(C(=O)c2ccc(Nc3ccc(F)c(F)c3F)cn2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone?
The InChIKey is HPNISXGVBGLXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O/c1-2-24-7-9-25(10-8-24)18(26)15-5-3-12(11-22-15)23-14-6-4-13(19)16(20)17(14)21/h3-6,11,23H,2,7-10H2,1H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone?
(4-ethylpiperazin-1-yl)-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone has a molecular weight of 364.37 g/mol, XLogP of 3.02, 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-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone is sourced from PubChem (CID 109186751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).