(5-anilino-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C22H21FN4O — CID 109237604

IUPAC(5-anilino-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cncc(Nc2ccccc2)c1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H21FN4O/c23-18-6-8-21(9-7-18)26-10-12-27(13-11-26)22(28)17-14-20(16-24-15-17)25-19-4-2-1-3-5-19/h1-9,14-16,25H,10-13H2
InChIKeyFLNPEDOFJGUJNF-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.93
Rot. Bonds4

About (5-anilino-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone

(5-anilino-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 109237604) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is (5-anilino-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-anilino-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID109237604
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC Name(5-anilino-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cncc(Nc2ccccc2)c1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H21FN4O/c23-18-6-8-21(9-7-18)26-10-12-27(13-11-26)22(28)17-14-20(16-24-15-17)25-19-4-2-1-3-5-19/h1-9,14-16,25H,10-13H2
InChIKeyFLNPEDOFJGUJNF-UHFFFAOYSA-N
XLogP3.93
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-fluorophenyl)piperazin-1-yl]-[5-(3-methylanilino)-3-pyridinyl]methanone
CID 109237606
[5-(benzylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109231816
[5-(4-fluoroanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109238615
(4-methylpiperazin-1-yl)-[5-[4-(4-methylpiperazin-1-yl)anilino]-3-pyridinyl]methanone
CID 109230198
4-[5-(4-fluoroanilino)pyridine-3-carbonyl]piperazine-1-carbaldehyde
CID 109230801
[5-(2-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109237540
[4-(4-fluorophenyl)piperazin-1-yl]-[5-(furan-2-ylmethylamino)-3-pyridinyl]methanone
CID 109231488
[5-(tert-butylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109237510
morpholin-4-yl-[5-(4-piperidin-1-ylanilino)-3-pyridinyl]methanone
CID 109228509
(5-anilinopyrazin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109285593
5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-prop-2-enylpyridine-3-carboxamide
CID 109101767
(4-methylpiperidin-1-yl)-[5-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone
CID 109227138

Frequently Asked Questions

What is the IUPAC name of (5-anilino-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (5-anilino-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 109237604) is (5-anilino-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-anilino-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-anilino-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is O=C(c1cncc(Nc2ccccc2)c1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of (5-anilino-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is FLNPEDOFJGUJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c23-18-6-8-21(9-7-18)26-10-12-27(13-11-26)22(28)17-14-20(16-24-15-17)25-19-4-2-1-3-5-19/h1-9,14-16,25H,10-13H2.
What are the key properties of (5-anilino-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
(5-anilino-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 376.44 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-anilino-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 109237604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).