[5-(3-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone

C16H16FN3O2 — CID 109184706

IUPAC[5-(3-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(Nc2cccc(F)c2)cn1)N1CCOCC1
InChIInChI=1S/C16H16FN3O2/c17-12-2-1-3-13(10-12)19-14-4-5-15(18-11-14)16(21)20-6-8-22-9-7-20/h1-5,10-11,19H,6-9H2
InChIKeyWAAZMEOTSWBEOP-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.44
Rot. Bonds3

About [5-(3-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone

[5-(3-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 109184706) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is [5-(3-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-(3-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone
PubChem CID109184706
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name[5-(3-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(Nc2cccc(F)c2)cn1)N1CCOCC1
InChIInChI=1S/C16H16FN3O2/c17-12-2-1-3-13(10-12)19-14-4-5-15(18-11-14)16(21)20-6-8-22-9-7-20/h1-5,10-11,19H,6-9H2
InChIKeyWAAZMEOTSWBEOP-UHFFFAOYSA-N
XLogP2.44
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

morpholin-4-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone
CID 109184685
[5-(3-fluoroanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109194543
[5-(2-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184658
[5-(3-fluoroanilino)-2-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109194252
[5-(4-bromoanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184671
[5-(3-chloro-4-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184666
[5-(4-fluoroanilino)-2-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109193490
piperidin-1-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone
CID 109182660
(5-anilino-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109181859
[4-(3-fluoroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203769
[5-(2,6-difluoroanilino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182712
morpholin-4-yl-[5-(2-phenylethylamino)-2-pyridinyl]methanone
CID 109184585

Frequently Asked Questions

What is the IUPAC name of [5-(3-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [5-(3-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone (CID 109184706) is [5-(3-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-(3-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-(3-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone is O=C(c1ccc(Nc2cccc(F)c2)cn1)N1CCOCC1.
What is the InChIKey of [5-(3-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is WAAZMEOTSWBEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c17-12-2-1-3-13(10-12)19-14-4-5-15(18-11-14)16(21)20-6-8-22-9-7-20/h1-5,10-11,19H,6-9H2.
What are the key properties of [5-(3-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone?
[5-(3-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 301.32 g/mol, XLogP of 2.44, 3 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]-morpholin-4-ylmethanone is sourced from PubChem (CID 109184706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).