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

C16H24FN3O — CID 105386660

IUPAC(4,4-dimethylazepan-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone
SMILESCCNc1nccc(C(=O)N2CCCC(C)(C)CC2)c1F
InChIInChI=1S/C16H24FN3O/c1-4-18-14-13(17)12(6-9-19-14)15(21)20-10-5-7-16(2,3)8-11-20/h6,9H,4-5,7-8,10-11H2,1-3H3,(H,18,19)
InChIKeyJBAAQBMRCIOTGZ-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.30
Rot. Bonds3

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

(4,4-dimethylazepan-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone (PubChem CID 105386660) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is (4,4-dimethylazepan-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone.

Molecular Properties

Compound Name(4,4-dimethylazepan-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone
PubChem CID105386660
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name(4,4-dimethylazepan-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone
SMILESCCNc1nccc(C(=O)N2CCCC(C)(C)CC2)c1F
InChIInChI=1S/C16H24FN3O/c1-4-18-14-13(17)12(6-9-19-14)15(21)20-10-5-7-16(2,3)8-11-20/h6,9H,4-5,7-8,10-11H2,1-3H3,(H,18,19)
InChIKeyJBAAQBMRCIOTGZ-UHFFFAOYSA-N
XLogP3.30
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Related Compounds

[2-(ethylamino)-3-fluoro-4-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 105383957
(4,4-dimethylpiperidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone
CID 105388301
(3,3-diethylpyrrolidin-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone
CID 105386908
[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
[2-(ethylamino)-3-fluoro-4-pyridinyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106837597
4-[2-(ethylamino)-3-fluoropyridine-4-carbonyl]piperazin-2-one
CID 105384621
[2-(ethylamino)-3-fluoro-4-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 105387219
(2,3-dimethylpiperidin-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone
CID 105385102
[2-(ethylamino)-3-fluoro-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 105384744
(4,4-dimethylazepan-1-yl)-(2-fluoro-3-methylphenyl)methanone
CID 80711269
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone
CID 105384386

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethylazepan-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone?
The IUPAC name of (4,4-dimethylazepan-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone (CID 105386660) is (4,4-dimethylazepan-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone.
What is the SMILES notation for (4,4-dimethylazepan-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone?
The canonical SMILES for (4,4-dimethylazepan-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone is CCNc1nccc(C(=O)N2CCCC(C)(C)CC2)c1F.
What is the InChIKey of (4,4-dimethylazepan-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone?
The InChIKey is JBAAQBMRCIOTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-4-18-14-13(17)12(6-9-19-14)15(21)20-10-5-7-16(2,3)8-11-20/h6,9H,4-5,7-8,10-11H2,1-3H3,(H,18,19).
What are the key properties of (4,4-dimethylazepan-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone?
(4,4-dimethylazepan-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone has a molecular weight of 293.39 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethylazepan-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone is sourced from PubChem (CID 105386660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).