4-amino-N-(5-bromo-2-pyridinyl)-3-ethoxybutanamide

C11H16BrN3O2 — CID 114227302

IUPAC4-amino-N-(5-bromo-2-pyridinyl)-3-ethoxybutanamide
SMILESCCOC(CN)CC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C11H16BrN3O2/c1-2-17-9(6-13)5-11(16)15-10-4-3-8(12)7-14-10/h3-4,7,9H,2,5-6,13H2,1H3,(H,14,15,16)
InChIKeyUSOLPWCTODIVPH-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.54
Rot. Bonds6

About 4-amino-N-(5-bromo-2-pyridinyl)-3-ethoxybutanamide

4-amino-N-(5-bromo-2-pyridinyl)-3-ethoxybutanamide (PubChem CID 114227302) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is 4-amino-N-(5-bromo-2-pyridinyl)-3-ethoxybutanamide.

Molecular Properties

Compound Name4-amino-N-(5-bromo-2-pyridinyl)-3-ethoxybutanamide
PubChem CID114227302
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name4-amino-N-(5-bromo-2-pyridinyl)-3-ethoxybutanamide
SMILESCCOC(CN)CC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C11H16BrN3O2/c1-2-17-9(6-13)5-11(16)15-10-4-3-8(12)7-14-10/h3-4,7,9H,2,5-6,13H2,1H3,(H,14,15,16)
InChIKeyUSOLPWCTODIVPH-UHFFFAOYSA-N
XLogP1.54
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(5-bromo-2-pyridinyl)-3-methoxybutanamide
CID 103154268
4-amino-N-(6-chloropyridazin-3-yl)-3-ethoxybutanamide
CID 114227565
N-(5-bromo-2-pyridinyl)-2-ethoxyacetamide
CID 60655115
(3S)-3-amino-N-(5-bromo-2-pyridinyl)-4-hydroxybutanamide
CID 130348311
4-amino-N-(6-chloropyrimidin-4-yl)-3-ethoxybutanamide
CID 114227604
N-(5-bromo-2-pyridinyl)-4-ethoxybutanamide
CID 112729128
4-amino-3-ethoxy-N-(2-methylsulfanylphenyl)butanamide
CID 114227332
4-amino-3-ethoxy-N-[2-(hydroxymethyl)phenyl]butanamide
CID 114227338
N-(5-bromo-2-pyridinyl)-2-methylpropanamide
CID 14988412
2-(4-bromophenyl)-N-(5-bromo-2-pyridinyl)acetamide
CID 29260244
2-[4-(1-aminopropyl)triazol-1-yl]-N-(5-bromo-2-pyridinyl)acetamide
CID 106227521
4-amino-N-(1,3-dimethylpyrazol-4-yl)-3-ethoxybutanamide
CID 114227576

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-bromo-2-pyridinyl)-3-ethoxybutanamide?
The IUPAC name of 4-amino-N-(5-bromo-2-pyridinyl)-3-ethoxybutanamide (CID 114227302) is 4-amino-N-(5-bromo-2-pyridinyl)-3-ethoxybutanamide.
What is the SMILES notation for 4-amino-N-(5-bromo-2-pyridinyl)-3-ethoxybutanamide?
The canonical SMILES for 4-amino-N-(5-bromo-2-pyridinyl)-3-ethoxybutanamide is CCOC(CN)CC(=O)Nc1ccc(Br)cn1.
What is the InChIKey of 4-amino-N-(5-bromo-2-pyridinyl)-3-ethoxybutanamide?
The InChIKey is USOLPWCTODIVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c1-2-17-9(6-13)5-11(16)15-10-4-3-8(12)7-14-10/h3-4,7,9H,2,5-6,13H2,1H3,(H,14,15,16).
What are the key properties of 4-amino-N-(5-bromo-2-pyridinyl)-3-ethoxybutanamide?
4-amino-N-(5-bromo-2-pyridinyl)-3-ethoxybutanamide has a molecular weight of 302.17 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-bromo-2-pyridinyl)-3-ethoxybutanamide is sourced from PubChem (CID 114227302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).