[3-fluoro-2-(methylamino)-4-pyridinyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone

C14H20FN3O2 — CID 107228724

IUPAC[3-fluoro-2-(methylamino)-4-pyridinyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESCNc1nccc(C(=O)N2CCCC(CCO)C2)c1F
InChIInChI=1S/C14H20FN3O2/c1-16-13-12(15)11(4-6-17-13)14(20)18-7-2-3-10(9-18)5-8-19/h4,6,10,19H,2-3,5,7-9H2,1H3,(H,16,17)
InChIKeyOKODWMRSIDELCM-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.50
Rot. Bonds4

About [3-fluoro-2-(methylamino)-4-pyridinyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone

[3-fluoro-2-(methylamino)-4-pyridinyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 107228724) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is [3-fluoro-2-(methylamino)-4-pyridinyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-fluoro-2-(methylamino)-4-pyridinyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID107228724
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name[3-fluoro-2-(methylamino)-4-pyridinyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESCNc1nccc(C(=O)N2CCCC(CCO)C2)c1F
InChIInChI=1S/C14H20FN3O2/c1-16-13-12(15)11(4-6-17-13)14(20)18-7-2-3-10(9-18)5-8-19/h4,6,10,19H,2-3,5,7-9H2,1H3,(H,16,17)
InChIKeyOKODWMRSIDELCM-UHFFFAOYSA-N
XLogP1.50
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-fluoro-2-(methylamino)-4-pyridinyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 105387211
[3-(dimethylamino)piperidin-1-yl]-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone
CID 105386748
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone
CID 105387710
[3-fluoro-2-(methylamino)-4-pyridinyl]-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102965878
(2-ethylthiomorpholin-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone
CID 105387603
[3-fluoro-2-(methylamino)-4-pyridinyl]-(4-methoxypiperidin-1-yl)methanone
CID 105384813
(4-fluoro-2-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 112706029
[3-(2-hydroxyethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 63186795
(5-chloro-2-fluorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372699
(1,1-dioxo-1,4-thiazinan-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone
CID 105384993
(3-fluoro-2-hydrazinyl-4-pyridinyl)-(3-propoxypiperidin-1-yl)methanone
CID 105388188
(2-amino-4-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228705

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-(methylamino)-4-pyridinyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of [3-fluoro-2-(methylamino)-4-pyridinyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 107228724) is [3-fluoro-2-(methylamino)-4-pyridinyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-fluoro-2-(methylamino)-4-pyridinyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for [3-fluoro-2-(methylamino)-4-pyridinyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone is CNc1nccc(C(=O)N2CCCC(CCO)C2)c1F.
What is the InChIKey of [3-fluoro-2-(methylamino)-4-pyridinyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is OKODWMRSIDELCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-16-13-12(15)11(4-6-17-13)14(20)18-7-2-3-10(9-18)5-8-19/h4,6,10,19H,2-3,5,7-9H2,1H3,(H,16,17).
What are the key properties of [3-fluoro-2-(methylamino)-4-pyridinyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
[3-fluoro-2-(methylamino)-4-pyridinyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 281.33 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-(methylamino)-4-pyridinyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 107228724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).