4-[3-fluoro-2-(methylamino)pyridine-4-carbonyl]-1,3,3-trimethylpiperazin-2-one

C14H19FN4O2 — CID 105386922

IUPAC4-[3-fluoro-2-(methylamino)pyridine-4-carbonyl]-1,3,3-trimethylpiperazin-2-one
SMILESCNc1nccc(C(=O)N2CCN(C)C(=O)C2(C)C)c1F
InChIInChI=1S/C14H19FN4O2/c1-14(2)13(21)18(4)7-8-19(14)12(20)9-5-6-17-11(16-3)10(9)15/h5-6H,7-8H2,1-4H3,(H,16,17)
InChIKeyQLIIIWONYXGVFV-UHFFFAOYSA-N
MW294.33 g/mol
LogP0.96
Rot. Bonds2

About 4-[3-fluoro-2-(methylamino)pyridine-4-carbonyl]-1,3,3-trimethylpiperazin-2-one

4-[3-fluoro-2-(methylamino)pyridine-4-carbonyl]-1,3,3-trimethylpiperazin-2-one (PubChem CID 105386922) has the molecular formula C14H19FN4O2 and a molecular weight of 294.33 g/mol. Its IUPAC name is 4-[3-fluoro-2-(methylamino)pyridine-4-carbonyl]-1,3,3-trimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[3-fluoro-2-(methylamino)pyridine-4-carbonyl]-1,3,3-trimethylpiperazin-2-one
PubChem CID105386922
Molecular FormulaC14H19FN4O2
Molecular Weight294.33 g/mol
Exact Mass294.15
IUPAC Name4-[3-fluoro-2-(methylamino)pyridine-4-carbonyl]-1,3,3-trimethylpiperazin-2-one
SMILESCNc1nccc(C(=O)N2CCN(C)C(=O)C2(C)C)c1F
InChIInChI=1S/C14H19FN4O2/c1-14(2)13(21)18(4)7-8-19(14)12(20)9-5-6-17-11(16-3)10(9)15/h5-6H,7-8H2,1-4H3,(H,16,17)
InChIKeyQLIIIWONYXGVFV-UHFFFAOYSA-N
XLogP0.96
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1,1-dioxo-1,4-thiazinan-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone
CID 105384993
4-[3-(ethylamino)pyridine-4-carbonyl]-1,3,3-trimethylpiperazin-2-one
CID 105070728
1,3,3-trimethyl-4-(2-propan-2-yloxypyridine-3-carbonyl)piperazin-2-one
CID 146075683
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone
CID 105387710
[3-fluoro-2-(methylamino)-4-pyridinyl]-(4-methoxypiperidin-1-yl)methanone
CID 105384813
3,4-dihydro-1H-isoquinolin-2-yl-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone
CID 105384411
[3-fluoro-2-(methylamino)-4-pyridinyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 105387211
4-(3-amino-2-chlorobenzoyl)-1,3,3-trimethylpiperazin-2-one
CID 115930608
[3-(dimethylamino)piperidin-1-yl]-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone
CID 105386748
(4,4-dimethylpiperidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone
CID 105388301
(2-ethylthiomorpholin-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone
CID 105387603
[3-fluoro-2-(methylamino)-4-pyridinyl]-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102965878

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-2-(methylamino)pyridine-4-carbonyl]-1,3,3-trimethylpiperazin-2-one?
The IUPAC name of 4-[3-fluoro-2-(methylamino)pyridine-4-carbonyl]-1,3,3-trimethylpiperazin-2-one (CID 105386922) is 4-[3-fluoro-2-(methylamino)pyridine-4-carbonyl]-1,3,3-trimethylpiperazin-2-one.
What is the SMILES notation for 4-[3-fluoro-2-(methylamino)pyridine-4-carbonyl]-1,3,3-trimethylpiperazin-2-one?
The canonical SMILES for 4-[3-fluoro-2-(methylamino)pyridine-4-carbonyl]-1,3,3-trimethylpiperazin-2-one is CNc1nccc(C(=O)N2CCN(C)C(=O)C2(C)C)c1F.
What is the InChIKey of 4-[3-fluoro-2-(methylamino)pyridine-4-carbonyl]-1,3,3-trimethylpiperazin-2-one?
The InChIKey is QLIIIWONYXGVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O2/c1-14(2)13(21)18(4)7-8-19(14)12(20)9-5-6-17-11(16-3)10(9)15/h5-6H,7-8H2,1-4H3,(H,16,17).
What are the key properties of 4-[3-fluoro-2-(methylamino)pyridine-4-carbonyl]-1,3,3-trimethylpiperazin-2-one?
4-[3-fluoro-2-(methylamino)pyridine-4-carbonyl]-1,3,3-trimethylpiperazin-2-one has a molecular weight of 294.33 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-2-(methylamino)pyridine-4-carbonyl]-1,3,3-trimethylpiperazin-2-one is sourced from PubChem (CID 105386922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).