4-[2-(ethylamino)-3-fluoropyridine-4-carbonyl]piperazin-2-one

C12H15FN4O2 — CID 105384621

IUPAC4-[2-(ethylamino)-3-fluoropyridine-4-carbonyl]piperazin-2-one
SMILESCCNc1nccc(C(=O)N2CCNC(=O)C2)c1F
InChIInChI=1S/C12H15FN4O2/c1-2-14-11-10(13)8(3-4-16-11)12(19)17-6-5-15-9(18)7-17/h3-4H,2,5-7H2,1H3,(H,14,16)(H,15,18)
InChIKeyMAVBAMHAQIDAQG-UHFFFAOYSA-N
MW266.28 g/mol
LogP0.22
Rot. Bonds3

About 4-[2-(ethylamino)-3-fluoropyridine-4-carbonyl]piperazin-2-one

4-[2-(ethylamino)-3-fluoropyridine-4-carbonyl]piperazin-2-one (PubChem CID 105384621) has the molecular formula C12H15FN4O2 and a molecular weight of 266.28 g/mol. Its IUPAC name is 4-[2-(ethylamino)-3-fluoropyridine-4-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(ethylamino)-3-fluoropyridine-4-carbonyl]piperazin-2-one
PubChem CID105384621
Molecular FormulaC12H15FN4O2
Molecular Weight266.28 g/mol
Exact Mass266.12
IUPAC Name4-[2-(ethylamino)-3-fluoropyridine-4-carbonyl]piperazin-2-one
SMILESCCNc1nccc(C(=O)N2CCNC(=O)C2)c1F
InChIInChI=1S/C12H15FN4O2/c1-2-14-11-10(13)8(3-4-16-11)12(19)17-6-5-15-9(18)7-17/h3-4H,2,5-7H2,1H3,(H,14,16)(H,15,18)
InChIKeyMAVBAMHAQIDAQG-UHFFFAOYSA-N
XLogP0.22
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(ethylamino)-3-fluoro-4-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 105385344
[2-(ethylamino)-3-fluoro-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 105384991
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone
CID 105384386
[2-(ethylamino)-3-fluoro-4-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 105383957
(3,3-diethylpyrrolidin-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone
CID 105386908
[2-(ethylamino)-3-fluoro-4-pyridinyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106837597
(4,4-dimethylazepan-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone
CID 105386660
[2-(ethylamino)-3-fluoro-4-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 105387219
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone
CID 105387029
4-[2-(ethylamino)-3-fluoropyridine-4-carbonyl]morpholine-2-carbonitrile
CID 105386866
[3-fluoro-2-(propylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 105386116
(2,3-dimethylpiperidin-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone
CID 105385102

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylamino)-3-fluoropyridine-4-carbonyl]piperazin-2-one?
The IUPAC name of 4-[2-(ethylamino)-3-fluoropyridine-4-carbonyl]piperazin-2-one (CID 105384621) is 4-[2-(ethylamino)-3-fluoropyridine-4-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(ethylamino)-3-fluoropyridine-4-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[2-(ethylamino)-3-fluoropyridine-4-carbonyl]piperazin-2-one is CCNc1nccc(C(=O)N2CCNC(=O)C2)c1F.
What is the InChIKey of 4-[2-(ethylamino)-3-fluoropyridine-4-carbonyl]piperazin-2-one?
The InChIKey is MAVBAMHAQIDAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O2/c1-2-14-11-10(13)8(3-4-16-11)12(19)17-6-5-15-9(18)7-17/h3-4H,2,5-7H2,1H3,(H,14,16)(H,15,18).
What are the key properties of 4-[2-(ethylamino)-3-fluoropyridine-4-carbonyl]piperazin-2-one?
4-[2-(ethylamino)-3-fluoropyridine-4-carbonyl]piperazin-2-one has a molecular weight of 266.28 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethylamino)-3-fluoropyridine-4-carbonyl]piperazin-2-one is sourced from PubChem (CID 105384621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).