N-(5-bromo-6-methyl-2-pyridinyl)-3-methoxypropanamide

C10H13BrN2O2 — CID 71987338

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-3-methoxypropanamide
SMILESCOCCC(=O)Nc1ccc(Br)c(C)n1
InChIInChI=1S/C10H13BrN2O2/c1-7-8(11)3-4-9(12-7)13-10(14)5-6-15-2/h3-4H,5-6H2,1-2H3,(H,12,13,14)
InChIKeyPTLWGSCKLXASOL-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.13
Rot. Bonds4

About N-(5-bromo-6-methyl-2-pyridinyl)-3-methoxypropanamide

N-(5-bromo-6-methyl-2-pyridinyl)-3-methoxypropanamide (PubChem CID 71987338) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-3-methoxypropanamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-3-methoxypropanamide
PubChem CID71987338
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-3-methoxypropanamide
SMILESCOCCC(=O)Nc1ccc(Br)c(C)n1
InChIInChI=1S/C10H13BrN2O2/c1-7-8(11)3-4-9(12-7)13-10(14)5-6-15-2/h3-4H,5-6H2,1-2H3,(H,12,13,14)
InChIKeyPTLWGSCKLXASOL-UHFFFAOYSA-N
XLogP2.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-3-methoxypropanamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-3-methoxypropanamide (CID 71987338) is N-(5-bromo-6-methyl-2-pyridinyl)-3-methoxypropanamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-3-methoxypropanamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-3-methoxypropanamide is COCCC(=O)Nc1ccc(Br)c(C)n1.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-3-methoxypropanamide?
The InChIKey is PTLWGSCKLXASOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-7-8(11)3-4-9(12-7)13-10(14)5-6-15-2/h3-4H,5-6H2,1-2H3,(H,12,13,14).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-3-methoxypropanamide?
N-(5-bromo-6-methyl-2-pyridinyl)-3-methoxypropanamide has a molecular weight of 273.13 g/mol, XLogP of 2.13, 4 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)-3-methoxypropanamide is sourced from PubChem (CID 71987338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).