[2-(ethylamino)-3-fluoro-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone

C15H23FN4O — CID 105384991

IUPAC[2-(ethylamino)-3-fluoro-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCCNc1nccc(C(=O)N2CCN(C(C)C)CC2)c1F
InChIInChI=1S/C15H23FN4O/c1-4-17-14-13(16)12(5-6-18-14)15(21)20-9-7-19(8-10-20)11(2)3/h5-6,11H,4,7-10H2,1-3H3,(H,17,18)
InChIKeyHQGUYJGWULXSJT-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.82
Rot. Bonds4

About [2-(ethylamino)-3-fluoro-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone

[2-(ethylamino)-3-fluoro-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 105384991) has the molecular formula C15H23FN4O and a molecular weight of 294.37 g/mol. Its IUPAC name is [2-(ethylamino)-3-fluoro-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(ethylamino)-3-fluoro-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID105384991
Molecular FormulaC15H23FN4O
Molecular Weight294.37 g/mol
Exact Mass294.19
IUPAC Name[2-(ethylamino)-3-fluoro-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCCNc1nccc(C(=O)N2CCN(C(C)C)CC2)c1F
InChIInChI=1S/C15H23FN4O/c1-4-17-14-13(16)12(5-6-18-14)15(21)20-9-7-19(8-10-20)11(2)3/h5-6,11H,4,7-10H2,1-3H3,(H,17,18)
InChIKeyHQGUYJGWULXSJT-UHFFFAOYSA-N
XLogP1.82
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(ethylamino)-3-fluoro-4-pyridinyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106837597
[2-(ethylamino)-3-fluoro-4-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 105383957
[2-(ethylamino)-3-fluoro-4-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 105385344
[2-(ethylamino)-3-fluoro-4-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 105387219
(4,4-dimethylazepan-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone
CID 105386660
4-[2-(ethylamino)-3-fluoropyridine-4-carbonyl]piperazin-2-one
CID 105384621
(3,3-diethylpyrrolidin-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone
CID 105386908
[3-(ethylamino)-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 105068725
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone
CID 105384386
[5-bromo-2-(ethylamino)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 62168742
[4-(ethylamino)-2-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 62168232
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone
CID 105387029

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-3-fluoro-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [2-(ethylamino)-3-fluoro-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 105384991) is [2-(ethylamino)-3-fluoro-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(ethylamino)-3-fluoro-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(ethylamino)-3-fluoro-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone is CCNc1nccc(C(=O)N2CCN(C(C)C)CC2)c1F.
What is the InChIKey of [2-(ethylamino)-3-fluoro-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is HQGUYJGWULXSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O/c1-4-17-14-13(16)12(5-6-18-14)15(21)20-9-7-19(8-10-20)11(2)3/h5-6,11H,4,7-10H2,1-3H3,(H,17,18).
What are the key properties of [2-(ethylamino)-3-fluoro-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[2-(ethylamino)-3-fluoro-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 294.37 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-3-fluoro-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 105384991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).