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

C14H20BrN3O2 — CID 114681677

IUPAC[5-bromo-2-(ethylamino)-3-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCCNc1ncc(Br)cc1C(=O)N1CCC(O)C(C)C1
InChIInChI=1S/C14H20BrN3O2/c1-3-16-13-11(6-10(15)7-17-13)14(20)18-5-4-12(19)9(2)8-18/h6-7,9,12,19H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyWVATZBZIIGKOFV-UHFFFAOYSA-N
MW342.24 g/mol
LogP2.12
Rot. Bonds3

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

[5-bromo-2-(ethylamino)-3-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone (PubChem CID 114681677) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is [5-bromo-2-(ethylamino)-3-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-bromo-2-(ethylamino)-3-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
PubChem CID114681677
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Name[5-bromo-2-(ethylamino)-3-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCCNc1ncc(Br)cc1C(=O)N1CCC(O)C(C)C1
InChIInChI=1S/C14H20BrN3O2/c1-3-16-13-11(6-10(15)7-17-13)14(20)18-5-4-12(19)9(2)8-18/h6-7,9,12,19H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyWVATZBZIIGKOFV-UHFFFAOYSA-N
XLogP2.12
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [5-bromo-2-(ethylamino)-3-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(ethylamino)-3-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-bromo-2-(ethylamino)-3-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone (CID 114681677) is [5-bromo-2-(ethylamino)-3-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-bromo-2-(ethylamino)-3-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-bromo-2-(ethylamino)-3-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone is CCNc1ncc(Br)cc1C(=O)N1CCC(O)C(C)C1.
What is the InChIKey of [5-bromo-2-(ethylamino)-3-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is WVATZBZIIGKOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-3-16-13-11(6-10(15)7-17-13)14(20)18-5-4-12(19)9(2)8-18/h6-7,9,12,19H,3-5,8H2,1-2H3,(H,16,17).
What are the key properties of [5-bromo-2-(ethylamino)-3-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
[5-bromo-2-(ethylamino)-3-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 342.24 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(ethylamino)-3-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 114681677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).