1-(5-fluoro-2-pyridinyl)-2-[6-[(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]ethanone

C19H20FN3O — CID 159053603

IUPAC1-(5-fluoro-2-pyridinyl)-2-[6-[(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]ethanone
SMILESCN1CCC(=Cc2cccc(CC(=O)c3ccc(F)cn3)n2)CC1
InChIInChI=1S/C19H20FN3O/c1-23-9-7-14(8-10-23)11-16-3-2-4-17(22-16)12-19(24)18-6-5-15(20)13-21-18/h2-6,11,13H,7-10,12H2,1H3
InChIKeyJXOWAGSGTXSMAR-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.15
Rot. Bonds4

About 1-(5-fluoro-2-pyridinyl)-2-[6-[(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]ethanone

1-(5-fluoro-2-pyridinyl)-2-[6-[(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]ethanone (PubChem CID 159053603) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-2-[6-[(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-2-[6-[(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]ethanone
PubChem CID159053603
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name1-(5-fluoro-2-pyridinyl)-2-[6-[(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]ethanone
SMILESCN1CCC(=Cc2cccc(CC(=O)c3ccc(F)cn3)n2)CC1
InChIInChI=1S/C19H20FN3O/c1-23-9-7-14(8-10-23)11-16-3-2-4-17(22-16)12-19(24)18-6-5-15(20)13-21-18/h2-6,11,13H,7-10,12H2,1H3
InChIKeyJXOWAGSGTXSMAR-UHFFFAOYSA-N
XLogP3.15
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(5-fluoro-2-pyridinyl)-2-[6-[(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Benzoylpyridine
CID 7038
Di-2-pyridylethanedione
CID 68115
2-Phenyl-1-(pyridin-2-yl)ethan-1-one
CID 256073
Bis(2-pyridyl) ketone
CID 88065
Piberaline
CID 65975
(4-Isopropyl-piperazin-1-yl)-(5-piperidin-1-ylmethyl-pyridin-2-yl)-methanone
CID 25126154
(3E,5E)-1-methyl-3,5-bis(pyridin-2-ylmethylidene)piperidin-4-one
CID 2132479
Piperazine-1,4-diylbis(pyridin-2-ylmethanone)
CID 258989
2-Methyl-1-(2-oxo-2-phenylethyl)pyridinium bromide
CID 12316824
1-[2-Oxo-2-(2-pyridyl)ethyl]pyridinium Iodide
CID 213499
3-Dimethylamino-1-(2-pyridyl)prop-2-en-1-one
CID 566993
2-Propionylpyridine
CID 520574

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-2-[6-[(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]ethanone?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-2-[6-[(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]ethanone (CID 159053603) is 1-(5-fluoro-2-pyridinyl)-2-[6-[(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-2-[6-[(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]ethanone?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-2-[6-[(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]ethanone is CN1CCC(=Cc2cccc(CC(=O)c3ccc(F)cn3)n2)CC1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-2-[6-[(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]ethanone?
The InChIKey is JXOWAGSGTXSMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c1-23-9-7-14(8-10-23)11-16-3-2-4-17(22-16)12-19(24)18-6-5-15(20)13-21-18/h2-6,11,13H,7-10,12H2,1H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-2-[6-[(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]ethanone?
1-(5-fluoro-2-pyridinyl)-2-[6-[(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]ethanone has a molecular weight of 325.39 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-2-[6-[(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]ethanone is sourced from PubChem (CID 159053603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).