[5-bromo-2-(ethylamino)-3-pyridinyl]-(4-ethylpiperidin-1-yl)methanone

C15H22BrN3O — CID 62176736

IUPAC[5-bromo-2-(ethylamino)-3-pyridinyl]-(4-ethylpiperidin-1-yl)methanone
SMILESCCNc1ncc(Br)cc1C(=O)N1CCC(CC)CC1
InChIInChI=1S/C15H22BrN3O/c1-3-11-5-7-19(8-6-11)15(20)13-9-12(16)10-18-14(13)17-4-2/h9-11H,3-8H2,1-2H3,(H,17,18)
InChIKeyJPOVPRSGPDBGAP-UHFFFAOYSA-N
MW340.27 g/mol
LogP3.54
Rot. Bonds4

About [5-bromo-2-(ethylamino)-3-pyridinyl]-(4-ethylpiperidin-1-yl)methanone

[5-bromo-2-(ethylamino)-3-pyridinyl]-(4-ethylpiperidin-1-yl)methanone (PubChem CID 62176736) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is [5-bromo-2-(ethylamino)-3-pyridinyl]-(4-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-bromo-2-(ethylamino)-3-pyridinyl]-(4-ethylpiperidin-1-yl)methanone
PubChem CID62176736
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC Name[5-bromo-2-(ethylamino)-3-pyridinyl]-(4-ethylpiperidin-1-yl)methanone
SMILESCCNc1ncc(Br)cc1C(=O)N1CCC(CC)CC1
InChIInChI=1S/C15H22BrN3O/c1-3-11-5-7-19(8-6-11)15(20)13-9-12(16)10-18-14(13)17-4-2/h9-11H,3-8H2,1-2H3,(H,17,18)
InChIKeyJPOVPRSGPDBGAP-UHFFFAOYSA-N
XLogP3.54
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-bromo-2-(ethylamino)-3-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114681677
[5-bromo-2-(propylamino)-3-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 62186045
(2-amino-5-bromo-3-pyridinyl)-(4-ethylpiperidin-1-yl)methanone
CID 62185337
[5-bromo-2-(ethylamino)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 62168742
[5-bromo-2-(ethylamino)-3-pyridinyl]-(2-ethylazepan-1-yl)methanone
CID 104691769
[5-bromo-2-(propylamino)-3-pyridinyl]-(4-methylazepan-1-yl)methanone
CID 63627596
[5-bromo-2-(ethylamino)-3-pyridinyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81464108
(5-bromo-2-chloro-3-pyridinyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 112697918
[5-bromo-2-(ethylamino)-3-pyridinyl]-(3-ethylmorpholin-4-yl)methanone
CID 62169252
methyl 5-bromo-2-(ethylamino)pyridine-3-carboxylate
CID 130830671
(5-bromo-2-hydrazinyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone
CID 62238043
[5-bromo-2-(propylamino)-3-pyridinyl]-(1,4-oxazepan-4-yl)methanone
CID 62967844

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(ethylamino)-3-pyridinyl]-(4-ethylpiperidin-1-yl)methanone?
The IUPAC name of [5-bromo-2-(ethylamino)-3-pyridinyl]-(4-ethylpiperidin-1-yl)methanone (CID 62176736) is [5-bromo-2-(ethylamino)-3-pyridinyl]-(4-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-bromo-2-(ethylamino)-3-pyridinyl]-(4-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [5-bromo-2-(ethylamino)-3-pyridinyl]-(4-ethylpiperidin-1-yl)methanone is CCNc1ncc(Br)cc1C(=O)N1CCC(CC)CC1.
What is the InChIKey of [5-bromo-2-(ethylamino)-3-pyridinyl]-(4-ethylpiperidin-1-yl)methanone?
The InChIKey is JPOVPRSGPDBGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-3-11-5-7-19(8-6-11)15(20)13-9-12(16)10-18-14(13)17-4-2/h9-11H,3-8H2,1-2H3,(H,17,18).
What are the key properties of [5-bromo-2-(ethylamino)-3-pyridinyl]-(4-ethylpiperidin-1-yl)methanone?
[5-bromo-2-(ethylamino)-3-pyridinyl]-(4-ethylpiperidin-1-yl)methanone has a molecular weight of 340.27 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(ethylamino)-3-pyridinyl]-(4-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 62176736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).