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

C16H24BrN3O — CID 104691769

IUPAC[5-bromo-2-(ethylamino)-3-pyridinyl]-(2-ethylazepan-1-yl)methanone
SMILESCCNc1ncc(Br)cc1C(=O)N1CCCCCC1CC
InChIInChI=1S/C16H24BrN3O/c1-3-13-8-6-5-7-9-20(13)16(21)14-10-12(17)11-19-15(14)18-4-2/h10-11,13H,3-9H2,1-2H3,(H,18,19)
InChIKeyPADOWNCDQSPFKM-UHFFFAOYSA-N
MW354.29 g/mol
LogP4.07
Rot. Bonds4

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

[5-bromo-2-(ethylamino)-3-pyridinyl]-(2-ethylazepan-1-yl)methanone (PubChem CID 104691769) has the molecular formula C16H24BrN3O and a molecular weight of 354.29 g/mol. Its IUPAC name is [5-bromo-2-(ethylamino)-3-pyridinyl]-(2-ethylazepan-1-yl)methanone.

Molecular Properties

Compound Name[5-bromo-2-(ethylamino)-3-pyridinyl]-(2-ethylazepan-1-yl)methanone
PubChem CID104691769
Molecular FormulaC16H24BrN3O
Molecular Weight354.29 g/mol
Exact Mass353.11
IUPAC Name[5-bromo-2-(ethylamino)-3-pyridinyl]-(2-ethylazepan-1-yl)methanone
SMILESCCNc1ncc(Br)cc1C(=O)N1CCCCCC1CC
InChIInChI=1S/C16H24BrN3O/c1-3-13-8-6-5-7-9-20(13)16(21)14-10-12(17)11-19-15(14)18-4-2/h10-11,13H,3-9H2,1-2H3,(H,18,19)
InChIKeyPADOWNCDQSPFKM-UHFFFAOYSA-N
XLogP4.07
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-bromo-2-(ethylamino)-3-pyridinyl]-(3-ethylmorpholin-4-yl)methanone
CID 62169252
[5-bromo-2-(methylamino)-3-pyridinyl]-(2-propylpiperidin-1-yl)methanone
CID 83061828
[5-bromo-2-(ethylamino)-3-pyridinyl]-(4-ethylpiperidin-1-yl)methanone
CID 62176736
(5-bromo-2-hydrazinyl-3-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62243989
[4-(ethylamino)-6-methyl-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 81235968
[2-(ethylamino)-3-fluoro-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 105384744
(5-bromo-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone
CID 113441714
[6-(ethylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 55042855
[5-bromo-2-(ethylamino)-3-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114681677
[2-(ethylamino)phenyl]-(2-ethylazepan-1-yl)methanone
CID 104690846
(2-bromo-3-pyridinyl)-(2-ethylazepan-1-yl)methanone
CID 103755522
[4-(ethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-ethylpiperidin-1-yl)methanone
CID 118756583

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(ethylamino)-3-pyridinyl]-(2-ethylazepan-1-yl)methanone?
The IUPAC name of [5-bromo-2-(ethylamino)-3-pyridinyl]-(2-ethylazepan-1-yl)methanone (CID 104691769) is [5-bromo-2-(ethylamino)-3-pyridinyl]-(2-ethylazepan-1-yl)methanone.
What is the SMILES notation for [5-bromo-2-(ethylamino)-3-pyridinyl]-(2-ethylazepan-1-yl)methanone?
The canonical SMILES for [5-bromo-2-(ethylamino)-3-pyridinyl]-(2-ethylazepan-1-yl)methanone is CCNc1ncc(Br)cc1C(=O)N1CCCCCC1CC.
What is the InChIKey of [5-bromo-2-(ethylamino)-3-pyridinyl]-(2-ethylazepan-1-yl)methanone?
The InChIKey is PADOWNCDQSPFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O/c1-3-13-8-6-5-7-9-20(13)16(21)14-10-12(17)11-19-15(14)18-4-2/h10-11,13H,3-9H2,1-2H3,(H,18,19).
What are the key properties of [5-bromo-2-(ethylamino)-3-pyridinyl]-(2-ethylazepan-1-yl)methanone?
[5-bromo-2-(ethylamino)-3-pyridinyl]-(2-ethylazepan-1-yl)methanone has a molecular weight of 354.29 g/mol, XLogP of 4.07, 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]-(2-ethylazepan-1-yl)methanone is sourced from PubChem (CID 104691769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).