[5-(4-fluoroanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C21H20FN5O — CID 109238615

IUPAC[5-(4-fluoroanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cncc(Nc2ccc(F)cc2)c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H20FN5O/c22-17-4-6-18(7-5-17)25-19-13-16(14-23-15-19)21(28)27-11-9-26(10-12-27)20-3-1-2-8-24-20/h1-8,13-15,25H,9-12H2
InChIKeyWYERXLDVXIIFRF-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.32
Rot. Bonds4

About [5-(4-fluoroanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[5-(4-fluoroanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 109238615) has the molecular formula C21H20FN5O and a molecular weight of 377.42 g/mol. Its IUPAC name is [5-(4-fluoroanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(4-fluoroanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID109238615
Molecular FormulaC21H20FN5O
Molecular Weight377.42 g/mol
Exact Mass377.17
IUPAC Name[5-(4-fluoroanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cncc(Nc2ccc(F)cc2)c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H20FN5O/c22-17-4-6-18(7-5-17)25-19-13-16(14-23-15-19)21(28)27-11-9-26(10-12-27)20-3-1-2-8-24-20/h1-8,13-15,25H,9-12H2
InChIKeyWYERXLDVXIIFRF-UHFFFAOYSA-N
XLogP3.32
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(2,4-difluoroanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109238623
(5-anilino-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109237604
[5-(2-ethylanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109238611
4-[5-(4-fluoroanilino)pyridine-3-carbonyl]piperazine-1-carbaldehyde
CID 109230801
[5-(3,4-difluoroanilino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109238713
[5-(4-chloroanilino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109238703
[5-[3-(dimethylamino)propylamino]-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109229939
N-(4-fluorophenyl)-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 27255857
[4-(4-fluorophenyl)piperazin-1-yl]-[5-(3-methylanilino)-3-pyridinyl]methanone
CID 109237606
[5-(N-methylanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109238602
N-(4-fluorophenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108512673
N-(3-methylbutyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109106706

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluoroanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [5-(4-fluoroanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 109238615) is [5-(4-fluoroanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(4-fluoroanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(4-fluoroanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1cncc(Nc2ccc(F)cc2)c1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of [5-(4-fluoroanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is WYERXLDVXIIFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O/c22-17-4-6-18(7-5-17)25-19-13-16(14-23-15-19)21(28)27-11-9-26(10-12-27)20-3-1-2-8-24-20/h1-8,13-15,25H,9-12H2.
What are the key properties of [5-(4-fluoroanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[5-(4-fluoroanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 377.42 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluoroanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 109238615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).