2-[(6-bromo-3-pyridinyl)oxy]-N-(3-methylbutyl)propanamide

C13H19BrN2O2 — CID 107396677

IUPAC2-[(6-bromo-3-pyridinyl)oxy]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)Oc1ccc(Br)nc1
InChIInChI=1S/C13H19BrN2O2/c1-9(2)6-7-15-13(17)10(3)18-11-4-5-12(14)16-8-11/h4-5,8-10H,6-7H2,1-3H3,(H,15,17)
InChIKeyCFGQKANVKUUTBY-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.77
Rot. Bonds6

About 2-[(6-bromo-3-pyridinyl)oxy]-N-(3-methylbutyl)propanamide

2-[(6-bromo-3-pyridinyl)oxy]-N-(3-methylbutyl)propanamide (PubChem CID 107396677) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 2-[(6-bromo-3-pyridinyl)oxy]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-[(6-bromo-3-pyridinyl)oxy]-N-(3-methylbutyl)propanamide
PubChem CID107396677
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name2-[(6-bromo-3-pyridinyl)oxy]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)Oc1ccc(Br)nc1
InChIInChI=1S/C13H19BrN2O2/c1-9(2)6-7-15-13(17)10(3)18-11-4-5-12(14)16-8-11/h4-5,8-10H,6-7H2,1-3H3,(H,15,17)
InChIKeyCFGQKANVKUUTBY-UHFFFAOYSA-N
XLogP2.77
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(6-bromo-3-pyridinyl)oxy]propanoic acid
CID 138717997
2-[(6-bromo-3-pyridinyl)oxy]-N-carbamoylpropanamide
CID 107396697
2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 21173373
2-(3,4-dichlorophenoxy)-N-(3-methylbutyl)propanamide
CID 134038130
2-[(6-bromo-3-pyridinyl)oxy]-N,N-dimethylpropanamide
CID 107396753
N-(3-methylbutyl)-2-[4-(2-oxopropyl)phenoxy]propanamide
CID 115495359
N-(3-methylbutyl)-2-(1-methylpyrazol-4-yl)oxypropanamide
CID 116793941
N-(3-methylbutyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 53112263
2-methyl-4-[1-(3-methylbutylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 107671321
N-(3-methylbutyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133235714
2-fluoro-4-[1-(3-methylbutylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 107675560
2-(3-fluoro-4-nitrophenoxy)-N-(3-methylbutyl)propanamide
CID 79827324

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-3-pyridinyl)oxy]-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-[(6-bromo-3-pyridinyl)oxy]-N-(3-methylbutyl)propanamide (CID 107396677) is 2-[(6-bromo-3-pyridinyl)oxy]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-[(6-bromo-3-pyridinyl)oxy]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-[(6-bromo-3-pyridinyl)oxy]-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)C(C)Oc1ccc(Br)nc1.
What is the InChIKey of 2-[(6-bromo-3-pyridinyl)oxy]-N-(3-methylbutyl)propanamide?
The InChIKey is CFGQKANVKUUTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-9(2)6-7-15-13(17)10(3)18-11-4-5-12(14)16-8-11/h4-5,8-10H,6-7H2,1-3H3,(H,15,17).
What are the key properties of 2-[(6-bromo-3-pyridinyl)oxy]-N-(3-methylbutyl)propanamide?
2-[(6-bromo-3-pyridinyl)oxy]-N-(3-methylbutyl)propanamide has a molecular weight of 315.21 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-3-pyridinyl)oxy]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 107396677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).