1-[6-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]ethanone

C16H17FN2O2 — CID 91651075

IUPAC1-[6-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(NC(C)C(O)c2ccc(F)cc2)nc1
InChIInChI=1S/C16H17FN2O2/c1-10(16(21)12-3-6-14(17)7-4-12)19-15-8-5-13(9-18-15)11(2)20/h3-10,16,21H,1-2H3,(H,18,19)
InChIKeyKZOCUFIXMGRLNE-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.96
Rot. Bonds5

About 1-[6-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]ethanone

1-[6-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]ethanone (PubChem CID 91651075) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 1-[6-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]ethanone
PubChem CID91651075
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name1-[6-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(NC(C)C(O)c2ccc(F)cc2)nc1
InChIInChI=1S/C16H17FN2O2/c1-10(16(21)12-3-6-14(17)7-4-12)19-15-8-5-13(9-18-15)11(2)20/h3-10,16,21H,1-2H3,(H,18,19)
InChIKeyKZOCUFIXMGRLNE-UHFFFAOYSA-N
XLogP2.96
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 99828598
(1S,2S)-1-(4-fluorophenyl)-2-[(5-nitro-2-pyridinyl)amino]propan-1-ol
CID 95624699
1-(4-fluorophenyl)-2-(pyrazin-2-ylamino)propan-1-ol
CID 86805519
1-(4-acetylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea
CID 111115072
1,3-bis(4-fluorophenyl)-3-hydroxy-2-methylpropan-1-one
CID 75056323
1-(4-fluorophenyl)-2-[(4-methylpyrimidin-2-yl)amino]propan-1-ol
CID 133309866
(1S,2R)-1-(4-fluorophenyl)-2-[(6-methylsulfanylpyrazin-2-yl)amino]propan-1-ol
CID 99857861
4-fluoro-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide
CID 113023565
4-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide
CID 113011864
6-[[1-(4-bromophenyl)-1-hydroxypropan-2-yl]amino]pyridine-3-carbonitrile
CID 51099692
N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-(4-methylphenyl)-2-oxoacetamide
CID 111115069
1-[6-(dimethylamino)-3-pyridinyl]-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea
CID 111116864

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]ethanone (CID 91651075) is 1-[6-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]ethanone is CC(=O)c1ccc(NC(C)C(O)c2ccc(F)cc2)nc1.
What is the InChIKey of 1-[6-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]ethanone?
The InChIKey is KZOCUFIXMGRLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-10(16(21)12-3-6-14(17)7-4-12)19-15-8-5-13(9-18-15)11(2)20/h3-10,16,21H,1-2H3,(H,18,19).
What are the key properties of 1-[6-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]ethanone?
1-[6-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]ethanone has a molecular weight of 288.32 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]ethanone is sourced from PubChem (CID 91651075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).