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

C22H20F2N4O — CID 166362766

IUPAC[2-(3-fluoroanilino)-3-pyridinyl]-[4-(3-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cccnc1Nc1cccc(F)c1)N1CCN(c2cccc(F)c2)CC1
InChIInChI=1S/C22H20F2N4O/c23-16-4-1-6-18(14-16)26-21-20(8-3-9-25-21)22(29)28-12-10-27(11-13-28)19-7-2-5-17(24)15-19/h1-9,14-15H,10-13H2,(H,25,26)
InChIKeyUZXGZNUEBOKWIT-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.07
Rot. Bonds4

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

[2-(3-fluoroanilino)-3-pyridinyl]-[4-(3-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 166362766) has the molecular formula C22H20F2N4O and a molecular weight of 394.43 g/mol. Its IUPAC name is [2-(3-fluoroanilino)-3-pyridinyl]-[4-(3-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(3-fluoroanilino)-3-pyridinyl]-[4-(3-fluorophenyl)piperazin-1-yl]methanone
PubChem CID166362766
Molecular FormulaC22H20F2N4O
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name[2-(3-fluoroanilino)-3-pyridinyl]-[4-(3-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cccnc1Nc1cccc(F)c1)N1CCN(c2cccc(F)c2)CC1
InChIInChI=1S/C22H20F2N4O/c23-16-4-1-6-18(14-16)26-21-20(8-3-9-25-21)22(29)28-12-10-27(11-13-28)19-7-2-5-17(24)15-19/h1-9,14-15H,10-13H2,(H,25,26)
InChIKeyUZXGZNUEBOKWIT-UHFFFAOYSA-N
XLogP4.07
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-fluoroanilino)-3-pyridinyl]-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55955807
4-[2-(3-fluoroanilino)pyridine-3-carbonyl]-1-methylpiperazin-2-one
CID 75422007
[(3S)-3-aminopyrrolidin-1-yl]-[2-(3-fluoroanilino)-3-pyridinyl]methanone
CID 124698734
[2-(3-fluoroanilino)-3-pyridinyl]-(4-phenoxypiperidin-1-yl)methanone
CID 86833930
[4-(3-methoxyphenyl)piperazin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 38602896
[2-(3-fluoroanilino)-3-pyridinyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 124575323
[2-(3-fluoroanilino)-3-pyridinyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 97077466
[2-(3-fluoroanilino)-3-pyridinyl]-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone
CID 124594605
[2-(3-fluoroanilino)-3-pyridinyl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 125146750
[4-(4-nitrophenyl)piperazin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 26199826
2-[4-[2-[3-(trifluoromethyl)anilino]pyridine-3-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 55460419
[5-(3-fluoroanilino)-2-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109194252

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoroanilino)-3-pyridinyl]-[4-(3-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(3-fluoroanilino)-3-pyridinyl]-[4-(3-fluorophenyl)piperazin-1-yl]methanone (CID 166362766) is [2-(3-fluoroanilino)-3-pyridinyl]-[4-(3-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(3-fluoroanilino)-3-pyridinyl]-[4-(3-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(3-fluoroanilino)-3-pyridinyl]-[4-(3-fluorophenyl)piperazin-1-yl]methanone is O=C(c1cccnc1Nc1cccc(F)c1)N1CCN(c2cccc(F)c2)CC1.
What is the InChIKey of [2-(3-fluoroanilino)-3-pyridinyl]-[4-(3-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is UZXGZNUEBOKWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O/c23-16-4-1-6-18(14-16)26-21-20(8-3-9-25-21)22(29)28-12-10-27(11-13-28)19-7-2-5-17(24)15-19/h1-9,14-15H,10-13H2,(H,25,26).
What are the key properties of [2-(3-fluoroanilino)-3-pyridinyl]-[4-(3-fluorophenyl)piperazin-1-yl]methanone?
[2-(3-fluoroanilino)-3-pyridinyl]-[4-(3-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 394.43 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoroanilino)-3-pyridinyl]-[4-(3-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 166362766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).