N-(6-bromo-2-pyridinyl)-3-propoxypropanamide

C11H15BrN2O2 — CID 62717521

IUPACN-(6-bromo-2-pyridinyl)-3-propoxypropanamide
SMILESCCCOCCC(=O)Nc1cccc(Br)n1
InChIInChI=1S/C11H15BrN2O2/c1-2-7-16-8-6-11(15)14-10-5-3-4-9(12)13-10/h3-5H,2,6-8H2,1H3,(H,13,14,15)
InChIKeyIKYRLRHAOOXXIV-UHFFFAOYSA-N
MW287.16 g/mol
LogP2.60
Rot. Bonds6

About N-(6-bromo-2-pyridinyl)-3-propoxypropanamide

N-(6-bromo-2-pyridinyl)-3-propoxypropanamide (PubChem CID 62717521) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is N-(6-bromo-2-pyridinyl)-3-propoxypropanamide.

Molecular Properties

Compound NameN-(6-bromo-2-pyridinyl)-3-propoxypropanamide
PubChem CID62717521
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC NameN-(6-bromo-2-pyridinyl)-3-propoxypropanamide
SMILESCCCOCCC(=O)Nc1cccc(Br)n1
InChIInChI=1S/C11H15BrN2O2/c1-2-7-16-8-6-11(15)14-10-5-3-4-9(12)13-10/h3-5H,2,6-8H2,1H3,(H,13,14,15)
InChIKeyIKYRLRHAOOXXIV-UHFFFAOYSA-N
XLogP2.60
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 52.60
H-Bond Donors ≤ 51
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'}

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Related Compounds

N-(6-bromo-2-pyridinyl)propanamide
CID 43520454
4-bromo-N-(6-bromo-2-pyridinyl)butanamide
CID 134366786
N-(4-bromophenyl)-3-propoxypropanamide
CID 55208743
N-(6-bromo-2-pyridinyl)-3-(propan-2-ylamino)propanamide
CID 130299737
N-(6-bromo-2-pyridinyl)-2-methylpentanamide
CID 43520555
N-(6-chloro-2-pyridinyl)-2-propoxyacetamide
CID 103739833
N-(6-bromo-2-pyridinyl)but-3-enamide
CID 62677588
2-(3-propoxypropanoylamino)pyridine-3-carboxylic acid
CID 63651997
N-[6-(tridecanoylamino)-2-pyridinyl]tridecanamide
CID 11038419
N-[6-(undecanoylamino)-2-pyridinyl]dodecanamide
CID 101442784
N-(6-bromo-2-pyridinyl)-1-ethylcyclopropane-1-carboxamide
CID 130161849
2-amino-N-(6-bromo-2-pyridinyl)butanamide;hydrochloride
CID 126623961

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-pyridinyl)-3-propoxypropanamide?
The IUPAC name of N-(6-bromo-2-pyridinyl)-3-propoxypropanamide (CID 62717521) is N-(6-bromo-2-pyridinyl)-3-propoxypropanamide.
What is the SMILES notation for N-(6-bromo-2-pyridinyl)-3-propoxypropanamide?
The canonical SMILES for N-(6-bromo-2-pyridinyl)-3-propoxypropanamide is CCCOCCC(=O)Nc1cccc(Br)n1.
What is the InChIKey of N-(6-bromo-2-pyridinyl)-3-propoxypropanamide?
The InChIKey is IKYRLRHAOOXXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-2-7-16-8-6-11(15)14-10-5-3-4-9(12)13-10/h3-5H,2,6-8H2,1H3,(H,13,14,15).
What are the key properties of N-(6-bromo-2-pyridinyl)-3-propoxypropanamide?
N-(6-bromo-2-pyridinyl)-3-propoxypropanamide has a molecular weight of 287.16 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-pyridinyl)-3-propoxypropanamide is sourced from PubChem (CID 62717521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).