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

C14H21FN4O — CID 105386748

IUPAC[3-(dimethylamino)piperidin-1-yl]-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone
SMILESCNc1nccc(C(=O)N2CCCC(N(C)C)C2)c1F
InChIInChI=1S/C14H21FN4O/c1-16-13-12(15)11(6-7-17-13)14(20)19-8-4-5-10(9-19)18(2)3/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,17)
InChIKeyOMOLGDGEVVTFRN-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.43
Rot. Bonds3

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

[3-(dimethylamino)piperidin-1-yl]-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone (PubChem CID 105386748) has the molecular formula C14H21FN4O and a molecular weight of 280.35 g/mol. Its IUPAC name is [3-(dimethylamino)piperidin-1-yl]-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[3-(dimethylamino)piperidin-1-yl]-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone
PubChem CID105386748
Molecular FormulaC14H21FN4O
Molecular Weight280.35 g/mol
Exact Mass280.17
IUPAC Name[3-(dimethylamino)piperidin-1-yl]-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone
SMILESCNc1nccc(C(=O)N2CCCC(N(C)C)C2)c1F
InChIInChI=1S/C14H21FN4O/c1-16-13-12(15)11(6-7-17-13)14(20)19-8-4-5-10(9-19)18(2)3/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,17)
InChIKeyOMOLGDGEVVTFRN-UHFFFAOYSA-N
XLogP1.43
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-fluoro-2-(methylamino)-4-pyridinyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228724
[3-fluoro-2-(methylamino)-4-pyridinyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 105387211
[(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
[3-fluoro-2-(methylamino)-4-pyridinyl]-(4-methoxypiperidin-1-yl)methanone
CID 105384813
(1,1-dioxo-1,4-thiazinan-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone
CID 105384993
(2-ethylthiomorpholin-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone
CID 105387603
(3-fluoro-2-hydrazinyl-4-pyridinyl)-(3-propoxypiperidin-1-yl)methanone
CID 105388188
[3-(dimethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 79523643
[3-(dimethylamino)piperidin-1-yl]-[5-(methylamino)-2-pyridinyl]methanone
CID 104641657
N-[1-(2,3-difluoropyridine-4-carbonyl)piperidin-3-yl]acetamide
CID 105380881
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone
CID 105388318

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)piperidin-1-yl]-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone?
The IUPAC name of [3-(dimethylamino)piperidin-1-yl]-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone (CID 105386748) is [3-(dimethylamino)piperidin-1-yl]-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone.
What is the SMILES notation for [3-(dimethylamino)piperidin-1-yl]-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone?
The canonical SMILES for [3-(dimethylamino)piperidin-1-yl]-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone is CNc1nccc(C(=O)N2CCCC(N(C)C)C2)c1F.
What is the InChIKey of [3-(dimethylamino)piperidin-1-yl]-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone?
The InChIKey is OMOLGDGEVVTFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O/c1-16-13-12(15)11(6-7-17-13)14(20)19-8-4-5-10(9-19)18(2)3/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,17).
What are the key properties of [3-(dimethylamino)piperidin-1-yl]-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone?
[3-(dimethylamino)piperidin-1-yl]-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone has a molecular weight of 280.35 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)piperidin-1-yl]-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone is sourced from PubChem (CID 105386748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).