[5-(3-fluoroanilino)-2-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone

C23H23FN4O — CID 109194252

IUPAC[5-(3-fluoroanilino)-2-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccc(Nc4cccc(F)c4)cn3)CC2)c1
InChIInChI=1S/C23H23FN4O/c1-17-4-2-7-21(14-17)27-10-12-28(13-11-27)23(29)22-9-8-20(16-25-22)26-19-6-3-5-18(24)15-19/h2-9,14-16,26H,10-13H2,1H3
InChIKeyXHUWTLIXNKMXMN-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.24
Rot. Bonds4

About [5-(3-fluoroanilino)-2-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone

[5-(3-fluoroanilino)-2-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone (PubChem CID 109194252) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is [5-(3-fluoroanilino)-2-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(3-fluoroanilino)-2-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
PubChem CID109194252
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name[5-(3-fluoroanilino)-2-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccc(Nc4cccc(F)c4)cn3)CC2)c1
InChIInChI=1S/C23H23FN4O/c1-17-4-2-7-21(14-17)27-10-12-28(13-11-27)23(29)22-9-8-20(16-25-22)26-19-6-3-5-18(24)15-19/h2-9,14-16,26H,10-13H2,1H3
InChIKeyXHUWTLIXNKMXMN-UHFFFAOYSA-N
XLogP4.24
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3-fluoroanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109194543
[6-(3-fluoroanilino)pyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109352947
[5-(3-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109194522
[5-(3-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184706
[5-(3-methoxypropylamino)-2-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109184425
[5-(4-fluoroanilino)-2-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109193490
4-[5-(3-methylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109186970
[5-(2,6-difluoroanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109193428
2-(3-fluoroanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 109004075
[5-(2-fluoroanilino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109286388
[6-(3-methylanilino)-3-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109160392
[4-(4-fluorophenyl)piperazin-1-yl]-[5-(3-methylanilino)-3-pyridinyl]methanone
CID 109237606

Frequently Asked Questions

What is the IUPAC name of [5-(3-fluoroanilino)-2-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of [5-(3-fluoroanilino)-2-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone (CID 109194252) is [5-(3-fluoroanilino)-2-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-(3-fluoroanilino)-2-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-(3-fluoroanilino)-2-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone is Cc1cccc(N2CCN(C(=O)c3ccc(Nc4cccc(F)c4)cn3)CC2)c1.
What is the InChIKey of [5-(3-fluoroanilino)-2-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is XHUWTLIXNKMXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c1-17-4-2-7-21(14-17)27-10-12-28(13-11-27)23(29)22-9-8-20(16-25-22)26-19-6-3-5-18(24)15-19/h2-9,14-16,26H,10-13H2,1H3.
What are the key properties of [5-(3-fluoroanilino)-2-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
[5-(3-fluoroanilino)-2-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 390.46 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-fluoroanilino)-2-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 109194252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).