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

C16H15F2N3O2 — CID 109228527

IUPAC[5-(2,4-difluoroanilino)-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cncc(Nc2ccc(F)cc2F)c1)N1CCOCC1
InChIInChI=1S/C16H15F2N3O2/c17-12-1-2-15(14(18)8-12)20-13-7-11(9-19-10-13)16(22)21-3-5-23-6-4-21/h1-2,7-10,20H,3-6H2
InChIKeyZGBLUBKAADXFAN-UHFFFAOYSA-N
MW319.31 g/mol
LogP2.58
Rot. Bonds3

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

[5-(2,4-difluoroanilino)-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 109228527) has the molecular formula C16H15F2N3O2 and a molecular weight of 319.31 g/mol. Its IUPAC name is [5-(2,4-difluoroanilino)-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-(2,4-difluoroanilino)-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID109228527
Molecular FormulaC16H15F2N3O2
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC Name[5-(2,4-difluoroanilino)-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cncc(Nc2ccc(F)cc2F)c1)N1CCOCC1
InChIInChI=1S/C16H15F2N3O2/c17-12-1-2-15(14(18)8-12)20-13-7-11(9-19-10-13)16(22)21-3-5-23-6-4-21/h1-2,7-10,20H,3-6H2
InChIKeyZGBLUBKAADXFAN-UHFFFAOYSA-N
XLogP2.58
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2,4-difluoroanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109238623
morpholin-4-yl-[5-(2,4,6-trimethylanilino)-3-pyridinyl]methanone
CID 109228463
methyl 4-[[5-(morpholine-4-carbonyl)-3-pyridinyl]amino]benzoate
CID 109228503
morpholin-4-yl-[5-(4-piperidin-1-ylanilino)-3-pyridinyl]methanone
CID 109228509
[5-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 109228524
[5-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 109228397
N-(1,3-benzodioxol-5-yl)-5-(2,4-difluoroanilino)pyridine-3-carboxamide
CID 109246164
N-(4-chlorophenyl)-5-(2,4-difluoroanilino)pyridine-3-carboxamide
CID 109244598
(5-anilino-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109237604
N-cyclohexyl-5-(2,4-difluoroanilino)pyridine-3-carboxamide
CID 109226790
[5-(3,4-difluoroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225687
4-[5-(4-fluoroanilino)pyridine-3-carbonyl]piperazine-1-carbaldehyde
CID 109230801

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-difluoroanilino)-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [5-(2,4-difluoroanilino)-3-pyridinyl]-morpholin-4-ylmethanone (CID 109228527) is [5-(2,4-difluoroanilino)-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-(2,4-difluoroanilino)-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-(2,4-difluoroanilino)-3-pyridinyl]-morpholin-4-ylmethanone is O=C(c1cncc(Nc2ccc(F)cc2F)c1)N1CCOCC1.
What is the InChIKey of [5-(2,4-difluoroanilino)-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is ZGBLUBKAADXFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O2/c17-12-1-2-15(14(18)8-12)20-13-7-11(9-19-10-13)16(22)21-3-5-23-6-4-21/h1-2,7-10,20H,3-6H2.
What are the key properties of [5-(2,4-difluoroanilino)-3-pyridinyl]-morpholin-4-ylmethanone?
[5-(2,4-difluoroanilino)-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 319.31 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-difluoroanilino)-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 109228527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).