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

C15H22FN3O — CID 105385102

IUPAC(2,3-dimethylpiperidin-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone
SMILESCCNc1nccc(C(=O)N2CCCC(C)C2C)c1F
InChIInChI=1S/C15H22FN3O/c1-4-17-14-13(16)12(7-8-18-14)15(20)19-9-5-6-10(2)11(19)3/h7-8,10-11H,4-6,9H2,1-3H3,(H,17,18)
InChIKeyFGTOWPQPYPZELM-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.91
Rot. Bonds3

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

(2,3-dimethylpiperidin-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone (PubChem CID 105385102) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is (2,3-dimethylpiperidin-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone.

Molecular Properties

Compound Name(2,3-dimethylpiperidin-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone
PubChem CID105385102
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name(2,3-dimethylpiperidin-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone
SMILESCCNc1nccc(C(=O)N2CCCC(C)C2C)c1F
InChIInChI=1S/C15H22FN3O/c1-4-17-14-13(16)12(7-8-18-14)15(20)19-9-5-6-10(2)11(19)3/h7-8,10-11H,4-6,9H2,1-3H3,(H,17,18)
InChIKeyFGTOWPQPYPZELM-UHFFFAOYSA-N
XLogP2.91
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(ethylamino)-3-fluoro-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 105384744
[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]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 105383957
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone
CID 105387029
[2-(ethylamino)-3-fluoro-4-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 105387219
[2-(ethylamino)-3-fluoro-4-pyridinyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 105387018
[2-(ethylamino)-3-fluoro-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 105384991
[2-(ethylamino)-3-fluoro-4-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 105385344
N-cycloheptyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384727
4-[2-(ethylamino)-3-fluoropyridine-4-carbonyl]piperazin-2-one
CID 105384621
N-cyclopentyl-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384908

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylpiperidin-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone?
The IUPAC name of (2,3-dimethylpiperidin-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone (CID 105385102) is (2,3-dimethylpiperidin-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone.
What is the SMILES notation for (2,3-dimethylpiperidin-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone?
The canonical SMILES for (2,3-dimethylpiperidin-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone is CCNc1nccc(C(=O)N2CCCC(C)C2C)c1F.
What is the InChIKey of (2,3-dimethylpiperidin-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone?
The InChIKey is FGTOWPQPYPZELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-4-17-14-13(16)12(7-8-18-14)15(20)19-9-5-6-10(2)11(19)3/h7-8,10-11H,4-6,9H2,1-3H3,(H,17,18).
What are the key properties of (2,3-dimethylpiperidin-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone?
(2,3-dimethylpiperidin-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone has a molecular weight of 279.36 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylpiperidin-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone is sourced from PubChem (CID 105385102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).