N-(5-bromo-6-methyl-2-pyridinyl)-2-(cyclopropylmethoxy)acetamide

C12H15BrN2O2 — CID 71985303

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-2-(cyclopropylmethoxy)acetamide
SMILESCc1nc(NC(=O)COCC2CC2)ccc1Br
InChIInChI=1S/C12H15BrN2O2/c1-8-10(13)4-5-11(14-8)15-12(16)7-17-6-9-2-3-9/h4-5,9H,2-3,6-7H2,1H3,(H,14,15,16)
InChIKeyDOSDQVMWYAFIIM-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.52
Rot. Bonds5

About N-(5-bromo-6-methyl-2-pyridinyl)-2-(cyclopropylmethoxy)acetamide

N-(5-bromo-6-methyl-2-pyridinyl)-2-(cyclopropylmethoxy)acetamide (PubChem CID 71985303) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-2-(cyclopropylmethoxy)acetamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-2-(cyclopropylmethoxy)acetamide
PubChem CID71985303
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-2-(cyclopropylmethoxy)acetamide
SMILESCc1nc(NC(=O)COCC2CC2)ccc1Br
InChIInChI=1S/C12H15BrN2O2/c1-8-10(13)4-5-11(14-8)15-12(16)7-17-6-9-2-3-9/h4-5,9H,2-3,6-7H2,1H3,(H,14,15,16)
InChIKeyDOSDQVMWYAFIIM-UHFFFAOYSA-N
XLogP2.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.52
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)-2-(cyclopropylmethoxy)acetamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-2-(cyclopropylmethoxy)acetamide (CID 71985303) is N-(5-bromo-6-methyl-2-pyridinyl)-2-(cyclopropylmethoxy)acetamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-2-(cyclopropylmethoxy)acetamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-2-(cyclopropylmethoxy)acetamide is Cc1nc(NC(=O)COCC2CC2)ccc1Br.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-2-(cyclopropylmethoxy)acetamide?
The InChIKey is DOSDQVMWYAFIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-8-10(13)4-5-11(14-8)15-12(16)7-17-6-9-2-3-9/h4-5,9H,2-3,6-7H2,1H3,(H,14,15,16).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-2-(cyclopropylmethoxy)acetamide?
N-(5-bromo-6-methyl-2-pyridinyl)-2-(cyclopropylmethoxy)acetamide has a molecular weight of 299.17 g/mol, XLogP of 2.52, 5 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)-2-(cyclopropylmethoxy)acetamide is sourced from PubChem (CID 71985303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).