N-(5-bromo-6-methyl-2-pyridinyl)-4-ethoxybutanamide

C12H17BrN2O2 — CID 79116971

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-4-ethoxybutanamide
SMILESCCOCCCC(=O)Nc1ccc(Br)c(C)n1
InChIInChI=1S/C12H17BrN2O2/c1-3-17-8-4-5-12(16)15-11-7-6-10(13)9(2)14-11/h6-7H,3-5,8H2,1-2H3,(H,14,15,16)
InChIKeyDMTPUAGUUQSWFG-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.91
Rot. Bonds6

About N-(5-bromo-6-methyl-2-pyridinyl)-4-ethoxybutanamide

N-(5-bromo-6-methyl-2-pyridinyl)-4-ethoxybutanamide (PubChem CID 79116971) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-4-ethoxybutanamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-4-ethoxybutanamide
PubChem CID79116971
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-4-ethoxybutanamide
SMILESCCOCCCC(=O)Nc1ccc(Br)c(C)n1
InChIInChI=1S/C12H17BrN2O2/c1-3-17-8-4-5-12(16)15-11-7-6-10(13)9(2)14-11/h6-7H,3-5,8H2,1-2H3,(H,14,15,16)
InChIKeyDMTPUAGUUQSWFG-UHFFFAOYSA-N
XLogP2.91
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-6-methyl-2-pyridinyl)pentanamide
CID 2996808
N-(5-bromo-6-methyl-2-pyridinyl)nonanamide
CID 79048735
N-(5-bromo-2-pyridinyl)-4-ethoxybutanamide
CID 112729128
N-(5-bromo-6-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide
CID 79048808
2-bromo-5-(4-ethoxybutanoylamino)benzoic acid
CID 113281018
N-(2-bromo-5-fluorophenyl)-4-ethoxybutanamide
CID 103753688
N-(5-bromo-6-methyl-2-pyridinyl)-3-(oxolan-2-ylmethoxy)propanamide
CID 71985293
N-(5-bromo-6-methyl-2-pyridinyl)-4-ethoxybenzamide
CID 925722
4-ethoxy-N-phenylbutanamide
CID 112728021
2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-2-ethylbutanamide
CID 79814305
N-(5-bromo-6-methyl-2-pyridinyl)-2,2-dimethylbutanamide
CID 69165507
N-(5-bromo-6-methyl-2-pyridinyl)-2-(cyclopentylamino)acetamide
CID 79048110

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-4-ethoxybutanamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-4-ethoxybutanamide (CID 79116971) is N-(5-bromo-6-methyl-2-pyridinyl)-4-ethoxybutanamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-4-ethoxybutanamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-4-ethoxybutanamide is CCOCCCC(=O)Nc1ccc(Br)c(C)n1.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-4-ethoxybutanamide?
The InChIKey is DMTPUAGUUQSWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-3-17-8-4-5-12(16)15-11-7-6-10(13)9(2)14-11/h6-7H,3-5,8H2,1-2H3,(H,14,15,16).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-4-ethoxybutanamide?
N-(5-bromo-6-methyl-2-pyridinyl)-4-ethoxybutanamide has a molecular weight of 301.18 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)-4-ethoxybutanamide is sourced from PubChem (CID 79116971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).