2-bromo-N-(2-methoxy-3-pyridinyl)butanamide

C10H13BrN2O2 — CID 62854131

IUPAC2-bromo-N-(2-methoxy-3-pyridinyl)butanamide
SMILESCCC(Br)C(=O)Nc1cccnc1OC
InChIInChI=1S/C10H13BrN2O2/c1-3-7(11)9(14)13-8-5-4-6-12-10(8)15-2/h4-7H,3H2,1-2H3,(H,13,14)
InChIKeyYGYDOTMFFFSRML-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.20
Rot. Bonds4

About 2-bromo-N-(2-methoxy-3-pyridinyl)butanamide

2-bromo-N-(2-methoxy-3-pyridinyl)butanamide (PubChem CID 62854131) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-bromo-N-(2-methoxy-3-pyridinyl)butanamide.

Molecular Properties

Compound Name2-bromo-N-(2-methoxy-3-pyridinyl)butanamide
PubChem CID62854131
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name2-bromo-N-(2-methoxy-3-pyridinyl)butanamide
SMILESCCC(Br)C(=O)Nc1cccnc1OC
InChIInChI=1S/C10H13BrN2O2/c1-3-7(11)9(14)13-8-5-4-6-12-10(8)15-2/h4-7H,3H2,1-2H3,(H,13,14)
InChIKeyYGYDOTMFFFSRML-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
CID 62855618
3-chloro-N-(2-methoxy-3-pyridinyl)-2-methylpropanamide
CID 62727393
(2S)-2-bromo-N-(2-methoxyphenyl)butanamide
CID 40932699
1-(2-methoxy-3-pyridinyl)-3-(2-methylpropyl)urea
CID 47042582
2-hydroxy-N-(2-methoxy-3-pyridinyl)acetamide
CID 126992524
1-(2-methoxy-3-pyridinyl)-3-prop-2-ynylurea
CID 47042553
methyl 2-[[(2S)-2-bromobutanoyl]amino]benzoate
CID 92864132
1-(2-methoxyethyl)-3-(2-methoxy-3-pyridinyl)urea
CID 47223034
1-ethyl-1-[(2R)-2-hydroxypropyl]-3-(2-methoxy-3-pyridinyl)urea
CID 94780378
methyl (3R)-3-[(2-methoxy-3-pyridinyl)carbamoylamino]-3-thiophen-2-ylpropanoate
CID 94172468
2-bromo-N-[2-(2-methylpropoxy)phenyl]butanamide
CID 55125784
1-(2-methoxy-3-pyridinyl)-3-pyrrolidin-1-ylurea
CID 100763708

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methoxy-3-pyridinyl)butanamide?
The IUPAC name of 2-bromo-N-(2-methoxy-3-pyridinyl)butanamide (CID 62854131) is 2-bromo-N-(2-methoxy-3-pyridinyl)butanamide.
What is the SMILES notation for 2-bromo-N-(2-methoxy-3-pyridinyl)butanamide?
The canonical SMILES for 2-bromo-N-(2-methoxy-3-pyridinyl)butanamide is CCC(Br)C(=O)Nc1cccnc1OC.
What is the InChIKey of 2-bromo-N-(2-methoxy-3-pyridinyl)butanamide?
The InChIKey is YGYDOTMFFFSRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-3-7(11)9(14)13-8-5-4-6-12-10(8)15-2/h4-7H,3H2,1-2H3,(H,13,14).
What are the key properties of 2-bromo-N-(2-methoxy-3-pyridinyl)butanamide?
2-bromo-N-(2-methoxy-3-pyridinyl)butanamide has a molecular weight of 273.13 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methoxy-3-pyridinyl)butanamide is sourced from PubChem (CID 62854131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).