5-(6-bromo-2-pyridinyl)-N-methoxy-N-methylpentanamide

C12H17BrN2O2 — CID 54200368

IUPAC5-(6-bromo-2-pyridinyl)-N-methoxy-N-methylpentanamide
SMILESCON(C)C(=O)CCCCc1cccc(Br)n1
InChIInChI=1S/C12H17BrN2O2/c1-15(17-2)12(16)9-4-3-6-10-7-5-8-11(13)14-10/h5,7-8H,3-4,6,9H2,1-2H3
InChIKeyGMFCUYLMFKNPHP-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.58
Rot. Bonds6

About 5-(6-bromo-2-pyridinyl)-N-methoxy-N-methylpentanamide

5-(6-bromo-2-pyridinyl)-N-methoxy-N-methylpentanamide (PubChem CID 54200368) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 5-(6-bromo-2-pyridinyl)-N-methoxy-N-methylpentanamide.

Molecular Properties

Compound Name5-(6-bromo-2-pyridinyl)-N-methoxy-N-methylpentanamide
PubChem CID54200368
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name5-(6-bromo-2-pyridinyl)-N-methoxy-N-methylpentanamide
SMILESCON(C)C(=O)CCCCc1cccc(Br)n1
InChIInChI=1S/C12H17BrN2O2/c1-15(17-2)12(16)9-4-3-6-10-7-5-8-11(13)14-10/h5,7-8H,3-4,6,9H2,1-2H3
InChIKeyGMFCUYLMFKNPHP-UHFFFAOYSA-N
XLogP2.58
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(6-bromo-2-pyridinyl)-N-methoxy-N-methylpentanamide?
The IUPAC name of 5-(6-bromo-2-pyridinyl)-N-methoxy-N-methylpentanamide (CID 54200368) is 5-(6-bromo-2-pyridinyl)-N-methoxy-N-methylpentanamide.
What is the SMILES notation for 5-(6-bromo-2-pyridinyl)-N-methoxy-N-methylpentanamide?
The canonical SMILES for 5-(6-bromo-2-pyridinyl)-N-methoxy-N-methylpentanamide is CON(C)C(=O)CCCCc1cccc(Br)n1.
What is the InChIKey of 5-(6-bromo-2-pyridinyl)-N-methoxy-N-methylpentanamide?
The InChIKey is GMFCUYLMFKNPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-15(17-2)12(16)9-4-3-6-10-7-5-8-11(13)14-10/h5,7-8H,3-4,6,9H2,1-2H3.
What are the key properties of 5-(6-bromo-2-pyridinyl)-N-methoxy-N-methylpentanamide?
5-(6-bromo-2-pyridinyl)-N-methoxy-N-methylpentanamide has a molecular weight of 301.18 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-bromo-2-pyridinyl)-N-methoxy-N-methylpentanamide is sourced from PubChem (CID 54200368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).