(2S)-N-(3-bromo-2-pyridinyl)-2-ethoxybutanamide

C11H15BrN2O2 — CID 97095345

IUPAC(2S)-N-(3-bromo-2-pyridinyl)-2-ethoxybutanamide
SMILESCCO[C@@H](CC)C(=O)Nc1ncccc1Br
InChIInChI=1S/C11H15BrN2O2/c1-3-9(16-4-2)11(15)14-10-8(12)6-5-7-13-10/h5-7,9H,3-4H2,1-2H3,(H,13,14,15)/t9-/m0/s1
InChIKeyFQFXSXHHXGPKDH-VIFPVBQESA-N
MW287.16 g/mol
LogP2.60
Rot. Bonds5

About (2S)-N-(3-bromo-2-pyridinyl)-2-ethoxybutanamide

(2S)-N-(3-bromo-2-pyridinyl)-2-ethoxybutanamide (PubChem CID 97095345) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is (2S)-N-(3-bromo-2-pyridinyl)-2-ethoxybutanamide.

Molecular Properties

Compound Name(2S)-N-(3-bromo-2-pyridinyl)-2-ethoxybutanamide
PubChem CID97095345
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name(2S)-N-(3-bromo-2-pyridinyl)-2-ethoxybutanamide
SMILESCCO[C@@H](CC)C(=O)Nc1ncccc1Br
InChIInChI=1S/C11H15BrN2O2/c1-3-9(16-4-2)11(15)14-10-8(12)6-5-7-13-10/h5-7,9H,3-4H2,1-2H3,(H,13,14,15)/t9-/m0/s1
InChIKeyFQFXSXHHXGPKDH-VIFPVBQESA-N
XLogP2.60
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-bromo-2-pyridinyl)-2-ethoxybutanamide?
The IUPAC name of (2S)-N-(3-bromo-2-pyridinyl)-2-ethoxybutanamide (CID 97095345) is (2S)-N-(3-bromo-2-pyridinyl)-2-ethoxybutanamide.
What is the SMILES notation for (2S)-N-(3-bromo-2-pyridinyl)-2-ethoxybutanamide?
The canonical SMILES for (2S)-N-(3-bromo-2-pyridinyl)-2-ethoxybutanamide is CCO[C@@H](CC)C(=O)Nc1ncccc1Br.
What is the InChIKey of (2S)-N-(3-bromo-2-pyridinyl)-2-ethoxybutanamide?
The InChIKey is FQFXSXHHXGPKDH-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-3-9(16-4-2)11(15)14-10-8(12)6-5-7-13-10/h5-7,9H,3-4H2,1-2H3,(H,13,14,15)/t9-/m0/s1.
What are the key properties of (2S)-N-(3-bromo-2-pyridinyl)-2-ethoxybutanamide?
(2S)-N-(3-bromo-2-pyridinyl)-2-ethoxybutanamide has a molecular weight of 287.16 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-bromo-2-pyridinyl)-2-ethoxybutanamide is sourced from PubChem (CID 97095345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).