methyl 3-[(6-bromopyridine-2-carbonyl)amino]propanoate

C10H11BrN2O3 — CID 18918524

IUPACmethyl 3-[(6-bromopyridine-2-carbonyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)c1cccc(Br)n1
InChIInChI=1S/C10H11BrN2O3/c1-16-9(14)5-6-12-10(15)7-3-2-4-8(11)13-7/h2-4H,5-6H2,1H3,(H,12,15)
InChIKeyPICFBXSPISNAAZ-UHFFFAOYSA-N
MW287.11 g/mol
LogP1.14
Rot. Bonds4

About methyl 3-[(6-bromopyridine-2-carbonyl)amino]propanoate

methyl 3-[(6-bromopyridine-2-carbonyl)amino]propanoate (PubChem CID 18918524) has the molecular formula C10H11BrN2O3 and a molecular weight of 287.11 g/mol. Its IUPAC name is methyl 3-[(6-bromopyridine-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(6-bromopyridine-2-carbonyl)amino]propanoate
PubChem CID18918524
Molecular FormulaC10H11BrN2O3
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC Namemethyl 3-[(6-bromopyridine-2-carbonyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)c1cccc(Br)n1
InChIInChI=1S/C10H11BrN2O3/c1-16-9(14)5-6-12-10(15)7-3-2-4-8(11)13-7/h2-4H,5-6H2,1H3,(H,12,15)
InChIKeyPICFBXSPISNAAZ-UHFFFAOYSA-N
XLogP1.14
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 3-[(6-bromopyridine-2-carbonyl)amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-N-(3,3-dimethylbutyl)pyridine-2-carboxamide
CID 103889719
4-[(6-bromopyridine-2-carbonyl)amino]butanoic acid
CID 19966484
6-bromo-N-(3-methylbutyl)pyridine-2-carboxamide
CID 21352691
6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 113351414
6-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide
CID 103917004
methyl 4-[(6-chloropyridine-2-carbonyl)amino]butanoate
CID 62233867
6-bromo-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide
CID 103916813
6-bromo-N-[2-oxo-2-(propylamino)ethyl]pyridine-2-carboxamide
CID 103879438
6-bromo-N-[2-(3-hydroxypropylsulfanyl)ethyl]pyridine-2-carboxamide
CID 103879701
6-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 18668624
methyl 3-[(2-amino-1,3-thiazole-4-carbonyl)amino]propanoate
CID 62787060
methyl 3-[(2-bromo-6-fluorobenzoyl)amino]propanoate
CID 115678601

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(6-bromopyridine-2-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[(6-bromopyridine-2-carbonyl)amino]propanoate (CID 18918524) is methyl 3-[(6-bromopyridine-2-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(6-bromopyridine-2-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[(6-bromopyridine-2-carbonyl)amino]propanoate is COC(=O)CCNC(=O)c1cccc(Br)n1.
What is the InChIKey of methyl 3-[(6-bromopyridine-2-carbonyl)amino]propanoate?
The InChIKey is PICFBXSPISNAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O3/c1-16-9(14)5-6-12-10(15)7-3-2-4-8(11)13-7/h2-4H,5-6H2,1H3,(H,12,15).
What are the key properties of methyl 3-[(6-bromopyridine-2-carbonyl)amino]propanoate?
methyl 3-[(6-bromopyridine-2-carbonyl)amino]propanoate has a molecular weight of 287.11 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(6-bromopyridine-2-carbonyl)amino]propanoate is sourced from PubChem (CID 18918524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).