(3,3-diethylpyrrolidin-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone

C16H24FN3O — CID 105386908

IUPAC(3,3-diethylpyrrolidin-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone
SMILESCCNc1nccc(C(=O)N2CCC(CC)(CC)C2)c1F
InChIInChI=1S/C16H24FN3O/c1-4-16(5-2)8-10-20(11-16)15(21)12-7-9-19-14(13(12)17)18-6-3/h7,9H,4-6,8,10-11H2,1-3H3,(H,18,19)
InChIKeyZYDRQFGCGHWVLJ-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.30
Rot. Bonds5

About (3,3-diethylpyrrolidin-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone

(3,3-diethylpyrrolidin-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone (PubChem CID 105386908) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is (3,3-diethylpyrrolidin-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone.

Molecular Properties

Compound Name(3,3-diethylpyrrolidin-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone
PubChem CID105386908
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name(3,3-diethylpyrrolidin-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone
SMILESCCNc1nccc(C(=O)N2CCC(CC)(CC)C2)c1F
InChIInChI=1S/C16H24FN3O/c1-4-16(5-2)8-10-20(11-16)15(21)12-7-9-19-14(13(12)17)18-6-3/h7,9H,4-6,8,10-11H2,1-3H3,(H,18,19)
InChIKeyZYDRQFGCGHWVLJ-UHFFFAOYSA-N
XLogP3.30
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,3-diethylpyrrolidin-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone?
The IUPAC name of (3,3-diethylpyrrolidin-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone (CID 105386908) is (3,3-diethylpyrrolidin-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone.
What is the SMILES notation for (3,3-diethylpyrrolidin-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone?
The canonical SMILES for (3,3-diethylpyrrolidin-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone is CCNc1nccc(C(=O)N2CCC(CC)(CC)C2)c1F.
What is the InChIKey of (3,3-diethylpyrrolidin-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone?
The InChIKey is ZYDRQFGCGHWVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-4-16(5-2)8-10-20(11-16)15(21)12-7-9-19-14(13(12)17)18-6-3/h7,9H,4-6,8,10-11H2,1-3H3,(H,18,19).
What are the key properties of (3,3-diethylpyrrolidin-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone?
(3,3-diethylpyrrolidin-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone has a molecular weight of 293.39 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-diethylpyrrolidin-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone is sourced from PubChem (CID 105386908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).