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

C14H20BrN3O2 — CID 62169252

IUPAC[5-bromo-2-(ethylamino)-3-pyridinyl]-(3-ethylmorpholin-4-yl)methanone
SMILESCCNc1ncc(Br)cc1C(=O)N1CCOCC1CC
InChIInChI=1S/C14H20BrN3O2/c1-3-11-9-20-6-5-18(11)14(19)12-7-10(15)8-17-13(12)16-4-2/h7-8,11H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyGKCPKWGZAHXDDF-UHFFFAOYSA-N
MW342.24 g/mol
LogP2.53
Rot. Bonds4

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

[5-bromo-2-(ethylamino)-3-pyridinyl]-(3-ethylmorpholin-4-yl)methanone (PubChem CID 62169252) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is [5-bromo-2-(ethylamino)-3-pyridinyl]-(3-ethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[5-bromo-2-(ethylamino)-3-pyridinyl]-(3-ethylmorpholin-4-yl)methanone
PubChem CID62169252
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Name[5-bromo-2-(ethylamino)-3-pyridinyl]-(3-ethylmorpholin-4-yl)methanone
SMILESCCNc1ncc(Br)cc1C(=O)N1CCOCC1CC
InChIInChI=1S/C14H20BrN3O2/c1-3-11-9-20-6-5-18(11)14(19)12-7-10(15)8-17-13(12)16-4-2/h7-8,11H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyGKCPKWGZAHXDDF-UHFFFAOYSA-N
XLogP2.53
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-bromo-2-(ethylamino)-3-pyridinyl]-(2-ethylazepan-1-yl)methanone
CID 104691769
[5-bromo-2-(ethylamino)-3-pyridinyl]-(4-ethylpiperidin-1-yl)methanone
CID 62176736
[4-(ethylamino)-2-pyridinyl]-(3-ethylmorpholin-4-yl)methanone
CID 55047074
[5-chloro-2-(methylamino)-4-pyridinyl]-(3-ethylmorpholin-4-yl)methanone
CID 114922378
(6-bromo-3-pyridinyl)-(3-ethylmorpholin-4-yl)methanone
CID 66464852
(5-amino-2-chloro-4-pyridinyl)-(3-ethylmorpholin-4-yl)methanone
CID 114089389
[5-bromo-2-(ethylamino)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 62168742
[4-(ethylamino)-3,5-difluorophenyl]-(3-ethylmorpholin-4-yl)methanone
CID 63185055
[5-bromo-2-(ethylamino)-3-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114681677
[5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 114924753
[5-bromo-2-(propylamino)-3-pyridinyl]-(1,4-oxazepan-4-yl)methanone
CID 62967844
(5-bromo-2-chloro-3-pyridinyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 94334907

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(ethylamino)-3-pyridinyl]-(3-ethylmorpholin-4-yl)methanone?
The IUPAC name of [5-bromo-2-(ethylamino)-3-pyridinyl]-(3-ethylmorpholin-4-yl)methanone (CID 62169252) is [5-bromo-2-(ethylamino)-3-pyridinyl]-(3-ethylmorpholin-4-yl)methanone.
What is the SMILES notation for [5-bromo-2-(ethylamino)-3-pyridinyl]-(3-ethylmorpholin-4-yl)methanone?
The canonical SMILES for [5-bromo-2-(ethylamino)-3-pyridinyl]-(3-ethylmorpholin-4-yl)methanone is CCNc1ncc(Br)cc1C(=O)N1CCOCC1CC.
What is the InChIKey of [5-bromo-2-(ethylamino)-3-pyridinyl]-(3-ethylmorpholin-4-yl)methanone?
The InChIKey is GKCPKWGZAHXDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-3-11-9-20-6-5-18(11)14(19)12-7-10(15)8-17-13(12)16-4-2/h7-8,11H,3-6,9H2,1-2H3,(H,16,17).
What are the key properties of [5-bromo-2-(ethylamino)-3-pyridinyl]-(3-ethylmorpholin-4-yl)methanone?
[5-bromo-2-(ethylamino)-3-pyridinyl]-(3-ethylmorpholin-4-yl)methanone has a molecular weight of 342.24 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(ethylamino)-3-pyridinyl]-(3-ethylmorpholin-4-yl)methanone is sourced from PubChem (CID 62169252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).